Mrv1572004251602192D          

 15 16  0  0  1  0            999 V2000
    0.3887   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620    1.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8804    1.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367   -0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    0.6132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0430    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596    1.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289    1.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909   -1.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576    1.4382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
  9 13  1  1  0  0  0
 14  8  1  0  0  0  0
  9 15  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM006153

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]C12CCC(C)([C@]([H])(C1)OC=O)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8?,9-,11?/m0/s1

> <INCHI_KEY>
RDWUNORUTVEHJF-YUCVTWSNSA-N

> <FORMULA>
C11H18O2

> <MOLECULAR_WEIGHT>
182.263

> <EXACT_MASS>
182.13067982

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
20.59917444486786

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate

> <ALOGPS_LOGP>
3.34

> <JCHEM_LOGP>
2.3818845866666667

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.826446647188969

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
49.975300000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate

> <JCHEM_VEBER_RULE>
1

> <NAME>
ISOBORNYL FORMATE

> <CAS>
1200-67-5

$$$$