Structure database (LMSD)

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LM IDLMFA01140062
Common Name2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid
Systematic Name2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid
Synonyms-
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 18:3
PubChem CID129726852
InChIKeyUJLCTWQAXHCCFC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)20/h12,14,16-17H,2-11,15H2,1H3,(H,19,20)
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SMILES
C(C1CC1C=C=CCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
317.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.34Molar
Refractivity
83.73