Structure database (LMSD)

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LM IDLMFA07010930
Common NameMethyl (2E,6Z)-dodecadienoate
Systematic Namemethyl (2E,6Z)-dodeca-2,6-dienoate
Synonyms-
Exact Mass
210.1620 (neutral)    Calculate m/z:
FormulaC13H22O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassShort fatty esters [FA0710]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevSFE 13:2
PubChem CID6438202
HMDB IDHMDB0031014
CHEBI ID174064
InChIKeyIYSZVOVZPVKXIJ-OFALOCIGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+
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SMILES
COC(=O)/C=C/CC/C=C\CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
243.12Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.63Molar
Refractivity
63.67