6432447
 OpenBabel05082101102D

 42 44  0  0  1  0  0  0  0  0999 V2000
    5.4232   -1.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.2559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9837   -0.6058    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8307   -0.1469    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6671    0.2559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6857   -0.6058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4517   -1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240   -1.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8736    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7879    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101   -0.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2949    1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067    1.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8624    1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4182   -0.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2839    0.1931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253   -0.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8962   -1.7958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7197   -2.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916   -1.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344    0.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    0.0845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -0.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686   -0.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065   -0.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -1.4377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    2.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080    2.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0284    1.3865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    2.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850    2.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    0.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755    0.9193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9549    1.6248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2892   -1.8865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  1  1  0  0  0  0
  6 19  1  1  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6432447

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
321

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAABgAYAAAAAAAAGgAACAAADxSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAACAAAYAADAAAYAADAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
(8S)-2,6,6,9-tetramethyl-8-tricyclo[5.4.0.02,9]undecanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(8<I>S</I>)-2,6,6,9-tetramethyltricyclo[5.4.0.0<SUP>2,9</SUP>]undecan-8-ol

>  <PUBCHEM_IUPAC_NAME>
(8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10?,11?,12-,14?,15?/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
MNNFKQAYXGEKFA-MJBFILCRSA-N

>  <PUBCHEM_XLOGP3_AA>
4.5

>  <PUBCHEM_EXACT_MASS>
222.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
222.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C3C1C(C2(CC3)C)O)C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCC2(C3C1[C@@H](C2(CC3)C)O)C)C

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
6  1  6
2  11  3
3  12  3
4  8  3
5  9  3

$$$$
