Mrv0541 05061309462D          

 16 18  0  0  0  0            999 V2000
   -1.2256    1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434    1.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0395    1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492   -0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814   -0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5321    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7986    0.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485   -0.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458    1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594    1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -0.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030906

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h9-13,16H,5-8H2,1-4H3

> <INCHI_KEY>
AZCJPMYIWXNBMH-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.440663685764868

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
2.80

> <JCHEM_LOGP>
3.1785024189999995

> <ALOGPS_LOGS>
-4.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5672432191093345

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.6

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.82e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]decan-3-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
3xi-4-Copanol

$$$$