Mrv0541 02241220062D          

 16 18  0  0  0  0            999 V2000
   -1.0875   -0.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178    0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624    0.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927   -0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3021   -0.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927   -1.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272   -0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927   -0.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812    0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229    0.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM033068

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)CC2(O)C3(C)CCCC2(C)CCC13

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3

> <INCHI_KEY>
QOXUIQMPPDIDGM-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
26.779690835859657

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,5,5,8-tetramethyltricyclo[5.4.0.0⁴,⁸]undecan-7-ol

> <ALOGPS_LOGP>
4.27

> <JCHEM_LOGP>
3.516373386333333

> <ALOGPS_LOGS>
-4.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.40487220022361115

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.145

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,5,5,8-tetramethyltricyclo[5.4.0.0⁴,⁸]undecan-7-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ginsenol

> <CAS>
117591-80-7

$$$$