Mrv1572004221604142D          

 12 14  0  0  0  0            999 V2000
    5.5881   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4612   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 10  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015622

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1OC1C1CCC2(C)OC2C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3

> <INCHI_KEY>
YIEDFHHVUWKOEV-UHFFFAOYSA-N

> <FORMULA>
C10H16O2

> <MOLECULAR_WEIGHT>
168.236

> <EXACT_MASS>
168.115029755

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
19.203268026096843

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

> <ALOGPS_LOGP>
1.74

> <JCHEM_LOGP>
1.5243079613333326

> <ALOGPS_LOGS>
-2.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9123489456328335

> <JCHEM_POLAR_SURFACE_AREA>
25.06

> <JCHEM_REFRACTIVITY>
45.0366

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.10e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,2:8,9-Diepoxy-p-menthane

> <CAS>
96-08-2

> <SYNONYMS>
(±)-Limonene diepoxide; 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane; Limonene dioxide

$$$$