Mrv1533007151515382D          

 12 13  0  0  0  0            999 V2000
   -0.1563    1.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    3.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632    3.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    2.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    2.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    3.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9632    0.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437    2.5935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  7  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB029697

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=C(CC2OC2(C)C)OC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3

> <INCHI_KEY>
BVTAIXWVSMPSFL-UHFFFAOYSA-N

> <FORMULA>
C10H14O2

> <MOLECULAR_WEIGHT>
166.22

> <EXACT_MASS>
166.099379691

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.772646708411266

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran

> <ALOGPS_LOGP>
2.56

> <JCHEM_LOGP>
2.0680441443333333

> <ALOGPS_LOGS>
-2.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.727100383153218

> <JCHEM_POLAR_SURFACE_AREA>
25.67

> <JCHEM_REFRACTIVITY>
46.6808

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.08e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB029697

> <GENERIC_NAME>
2-(2',3'-epoxy-3'-methylbutyl)-3-methyl furan

$$$$