Structure database (LMSD)

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LM IDLMFA01030946
Common Name(3Z)-2-Propylpent-3-enoic acid
Systematic Name(3Z)-2-propylpent-3-enoic acid
Synonyms-
Exact Mass
142.0994 (neutral)    Calculate m/z:
FormulaC8H14O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 8:1
PubChem CID24892812
KEGG IDC16654
HMDB IDHMDB0013903
CHEBI ID80640
InChIKeyWTMAHJABDOHPDJ-HYXAFXHYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3-
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SMILES
C(/C)=C/C(C(=O)O)CCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
159.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.06Molar
Refractivity
40.85