Structure database (LMSD)

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LM IDLMFA01020115
Common Name3-Methyl-3Z-Pentenoic Acid
Systematic Name3-Methyl-3Z-Pentenoic Acid
Synonyms-
Exact Mass
114.0681 (neutral)    Calculate m/z:
FormulaC6H10O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 6:1
LIPIDBANK IDDFA7083
PubChem CID5282659
InChIKeyOGVROELYPSGUQB-HYXAFXHYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H,7,8)/b5-3-
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SMILES
C(/C(/C)=C\C)C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
124.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.43Molar
Refractivity
31.68