Mrv0541 02241212592D          

 16 17  0  0  0  0            999 V2000
   -2.4161   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450   -1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016    0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025504

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CC=C(C)C2(O)CCC(C)CC12

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h5,10-11,13-14,16H,6-9H2,1-4H3

> <INCHI_KEY>
MFNUNCDPCGAKMB-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.763881006461816

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5-dimethyl-8-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-4a-ol

> <ALOGPS_LOGP>
4.41

> <JCHEM_LOGP>
3.772581144

> <ALOGPS_LOGS>
-3.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5087404259993028

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
69.1995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.29e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-isopropyl-4,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-4a-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cadin-9-en-1-ol

$$$$