Mrv0541 02241212582D          

 19 20  0  0  0  0            999 V2000
   -4.8027   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8027   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3443   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8098    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8098   -2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153   -2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153   -3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4864   -3.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 11  1  0  0  0  0
  4 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB007088

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=O)OC(C)(C)C1=CCC2=C(C1)C(C)=CC=C2C

> <INCHI_IDENTIFIER>
InChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3

> <INCHI_KEY>
IYWWINMILOVFBK-UHFFFAOYSA-N

> <FORMULA>
C17H22O2

> <MOLECULAR_WEIGHT>
258.3554

> <EXACT_MASS>
258.161979948

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
30.555994667384546

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate

> <ALOGPS_LOGP>
5.16

> <JCHEM_LOGP>
4.191288362333332

> <ALOGPS_LOGS>
-5.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.021495192702113

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
79.00439999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB007088

> <GENERIC_NAME>
Acetyl dehydrorishitinol

$$$$