Mrv0541 02241216232D          

 16 18  0  0  0  0            999 V2000
   -1.8278   -0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985   -0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    1.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7454    0.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8278   -0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -1.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM005060

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CCC2C(C)(C)C3CC12CCC3(C)O

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

> <INCHI_KEY>
SVURIXNDRWRAFU-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
26.9919423473765

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undecan-8-ol

> <ALOGPS_LOGP>
3.53

> <JCHEM_LOGP>
3.191530442666666

> <ALOGPS_LOGS>
-4.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5155835212848653

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.5265

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.80e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cedrol

> <JCHEM_VEBER_RULE>
1

> <NAME>
(+)-CEDROL

> <CAS>
77-53-2

> <SYNONYMS>
Cedran-8-ol; Cedrol

$$$$