Mrv1652305101818122D          

 16 17  0  0  0  0            999 V2000
10011.183810008.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.898510009.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10007.528210007.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.770110010.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.945110010.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.532510009.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.945210008.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.770010008.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.182310009.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.667210008.7676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10010.451810009.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.451810009.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.667210010.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10009.177310010.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.759510011.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.002310010.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  7  8  1  0  0  0  0
 11 12  1  0  0  0  0
  7  3  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  1  1  0  0  0  0
  4  9  1  0  0  0  0
  8  9  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB014990

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)C1CCC(C)CC11OCC(CO)O1

> <INCHI_IDENTIFIER>
InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3

> <INCHI_KEY>
ZBJCYZPANVLBRK-UHFFFAOYSA-N

> <FORMULA>
C13H24O3

> <MOLECULAR_WEIGHT>
228.3279

> <EXACT_MASS>
228.172544634

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
26.588873767798805

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[9-methyl-6-(propan-2-yl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol

> <ALOGPS_LOGP>
2.00

> <JCHEM_LOGP>
2.6159300283333344

> <ALOGPS_LOGS>
-2.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.596468988842378

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9753044642803426

> <JCHEM_POLAR_SURFACE_AREA>
38.69

> <JCHEM_REFRACTIVITY>
62.574100000000016

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.62e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{6-isopropyl-9-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methanol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB014990

> <GENERIC_NAME>
Menthone 1,2-glyceryl ketal

$$$$