Mrv0541 09041212592D          

 23 22  0  0  0  0            999 V2000
   -4.0061    3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558    3.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    3.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446    2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    2.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    1.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9349    3.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    4.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    4.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552    3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    3.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    3.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856    4.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2556    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    1.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    1.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21  2  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009421

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

> <INCHI_KEY>
QYDYPVFESGNLHU-KHPPLWFESA-N

> <FORMULA>
C19H36O2

> <MOLECULAR_WEIGHT>
296.4879

> <EXACT_MASS>
296.271530396

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
39.08356481296554

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (9Z)-octadec-9-enoate

> <ALOGPS_LOGP>
7.94

> <JCHEM_LOGP>
6.929692507

> <ALOGPS_LOGS>
-7.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.023980613669104

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
92.17129999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl oleate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Methyl oleate

> <CAS>
112-62-9

> <SYNONYMS>
Methyl (9Z)-octadec-9-enoate

$$$$