Structure database (LMSD)

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LM IDLMFA01031005
Common Namecis-pent-3-enoic acid
Systematic Name(3Z)-pent-3-enoic acid
Synonyms(Z)-3-pentenoic acid;(Z)-pent-3-enoic acid;C5:1, n-2 cis;Z-3-Pentensaeure;cis-
3-pentenoic acid;cis-Pent-3-ensaeure;cis-β,γ-penteneoic 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 CID5463134
CHEBI ID38369
InChIKeyUIUWNILCHFBLEQ-IHWYPQMZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2-
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SMILES
OC(=O)C/C=C\C
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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