Mrv0541 05061306322D          

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M  END
> <DATABASE_ID>
CHEM007242

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCC\C=C/CCCCCCCC(=O)OCCOC(=O)CCCCCCC\C=C/CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-

> <INCHI_KEY>
NKSOSPOXQKNIKJ-CLFAGFIQSA-N

> <FORMULA>
C38H70O4

> <MOLECULAR_WEIGHT>
590.96

> <EXACT_MASS>
590.527410728

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
78.61664940356556

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(9Z)-octadec-9-enoyloxy]ethyl (9Z)-octadec-9-enoate

> <ALOGPS_LOGP>
10.64

> <JCHEM_LOGP>
13.68786007066667

> <ALOGPS_LOGS>
-7.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.736794489374245

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
182.37360000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.72e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(9Z)-octadec-9-enoyloxy]ethyl (9Z)-octadec-9-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
POLYOXYETHYLENE DIOLEATE

> <CAS>
9005-07-6

> <SYNONYMS>
Poly(oxy-1,2-ethanediyl), .alpha.-[(9Z)-1-oxo-9-octadecenyl]-.omega.-[[(9Z)-1-oxo-9-octadecenyl]oxy]-

$$$$