Mrv0541 05061309392D          

 16 18  0  0  0  0            999 V2000
    5.2090    0.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784    1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521    0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238    2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354    2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921    2.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9190    1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640    1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796    0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488    2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    3.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 13  2  1  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 14  7  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030777

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)CC2C1CCC(C)(O)C1CCC21C

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

> <INCHI_KEY>
CPLGPDHGFNXBOA-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.43421947167757

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,6,10,10-tetramethyltricyclo[7.2.0.0²,⁵]undecan-6-ol

> <ALOGPS_LOGP>
3.56

> <JCHEM_LOGP>
3.191530442666666

> <ALOGPS_LOGS>
-4.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5152663289571463

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.5265

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.53e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,6,10,10-tetramethyltricyclo[7.2.0.0²,⁵]undecan-6-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Koraiol

> <CAS>
72188-51-3

$$$$