Structure database (LMSD)

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LM IDLMFA01031004
Common Namecis-pent-2-enoic acid
Systematic Name(2Z)-pent-2-enoic acid
Synonyms(Z)-2-pentenoic acid;C5:1, n-3 cis;Pent-2c-ensaeure;Z-2-Pentencarbonsaeure;cis-
2-pentenoic acid;cis-Pent-2-ensaeure;cis-α,β-penteneoic acid;cis-β-
Aethylacrylsaeure;pent-2c-enoic acid
Exact Mass
100.0524 (neutral)    Calculate m/z:
FormulaC5H8O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 5:1
PubChem CID643793
CHEBI ID38367
InChIKeyYIYBQIKDCADOSF-ARJAWSKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
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SMILES
O=C(/C=C\CC)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
107.36Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.04Molar
Refractivity
27.07