Mrv0541 02241215192D          

 16 18  0  0  0  0            999 V2000
    0.2888   -1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -1.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -1.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4438   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888    0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1136    0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616    1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709    1.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8663    1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090    1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  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>
FDB015567

> <DATABASE_NAME>
foodb

> <SMILES>
CC1CCC2C1C1C(CCC2(C)O)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3

> <INCHI_KEY>
AYXPYQRXGNDJFU-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.440621840390012

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulen-5-ol

> <ALOGPS_LOGP>
3.15

> <JCHEM_LOGP>
3.1785024189999995

> <ALOGPS_LOGS>
-4.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5138122997029483

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.60000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.27e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ledol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015567

> <GENERIC_NAME>
Globulol

$$$$