Mrv0541 02241207562D          

 16 18  0  0  0  0            999 V2000
   -0.2899   -0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274    0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120   -0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255   -0.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4832   -1.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -0.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    0.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120    1.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899   -1.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9985   -0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030907

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=C)C1CCC2(C)C3CCC(C)(O)C2C13

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h10-13,16H,1,5-8H2,2-4H3

> <INCHI_KEY>
DGXZNOOUXAHVAE-UHFFFAOYSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.3505

> <EXACT_MASS>
220.18271539

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
26.746375380063128

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,3-dimethyl-8-(prop-1-en-2-yl)tricyclo[4.4.0.0²,⁷]decan-3-ol

> <ALOGPS_LOGP>
2.47

> <JCHEM_LOGP>
2.8308566080000004

> <ALOGPS_LOGS>
-3.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5386609948838198

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.3775

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.87e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-dimethyl-8-(prop-1-en-2-yl)tricyclo[4.4.0.0²,⁷]decan-3-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
11-Copaen-4-ol

$$$$