Structure database (LMSD)

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LM IDLMFA01030017
Common Namecis-α-octenoic acid
Systematic Name2Z-octenoic acid
Synonyms3-n-amyl acrylic acid; cis-2-octenoic acid; C8:1n-6
Exact Mass
142.0994 (neutral)    Calculate m/z:
FormulaC8H14O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0056
PubChem Compound ID (CID)5282713
HMDB IDHMDB00392
InChIKeyCWMPPVPFLSZGCY-SREVYHEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
SMILESCCCCC/C=C\C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
159.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.21Molar
Refractivity
40.92