Mrv1652309272007332D          

 17 19  0  0  1  0            999 V2000
   -0.2169    0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5678   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0171   -0.7431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2126    0.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0170    0.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    0.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.0002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0895   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5741   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -1.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4205   -1.2242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  4  1  0  0  0  0
  7  4  1  0  0  0  0
  4  9  1  6  0  0  0
  5  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6 12  1  0  0  0  0
  6  9  1  6  0  0  0
 12  8  1  0  0  0  0
  8  7  1  0  0  0  0
  1 10  1  1  0  0  0
 12 11  1  1  0  0  0
 12 13  1  6  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16  5  1  0  0  0  0
  5 17  1  1  0  0  0
M  END
> <DATABASE_ID>
FDB009127

> <DATABASE_NAME>
foodb

> <SMILES>
[H][C@@]12CC[C@@H](C)[C@]11C[C@H](C2(C)C)[C@](C)(O)CC1

> <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/t10-,11+,12-,14-,15+/m1/s1

> <INCHI_KEY>
SVURIXNDRWRAFU-OGMFBOKVSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.059301115838934

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]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>
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecan-8-ol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB009127

> <GENERIC_NAME>
Cedarwood oil alcohols

$$$$