84825
 OpenBabel05082101102D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.8090   -0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    2.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360   -2.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712   -0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887    0.1197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    0.7121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3162   -1.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984    1.8028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612    2.6688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952    2.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3295   -2.2961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649   -2.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424   -2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8861   -0.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9320   -0.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0563   -0.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
84825

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
145

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAADASgmAIyBIAABECIAqhSgAACCAAkIAAIiAEGCMgMJjKENRqCGSCkwBEIqYeISAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-2-(3-methylbut-2-enyl)furan

>  <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-2-(3-methylbut-2-enyl)furan

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-2-(3-methylbut-2-enyl)furan

>  <PUBCHEM_IUPAC_NAME>
3-methyl-2-(3-methylbut-2-enyl)furan

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-2-(3-methylbut-2-enyl)furan

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-2-(3-methylbut-2-enyl)furan

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
UTSGPHXOHJSDBC-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.3

>  <PUBCHEM_EXACT_MASS>
150.104465

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H14O

>  <PUBCHEM_MOLECULAR_WEIGHT>
150.22

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(OC=C1)CC=C(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(OC=C1)CC=C(C)C

>  <PUBCHEM_CACTVS_TPSA>
13.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.104465

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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>
1  3  8
1  9  8
3  4  8
4  7  8
7  9  8

$$$$
