Structure database (LMSD)

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LM IDLMFA07011001
Common NamePropyl 2,4-decadienoate
Systematic Namepropyl (2E,4E)-deca-2,4-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 CID5362592
HMDB IDHMDB0037307
CHEBI ID174069
InChIKeyRKDOXCGYGLYOBV-BNFZFUHLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+
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SMILES
O(CCC)C(/C=C/C=C/CCCCC)=O
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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
 logP3.92Molar
Refractivity
64.16