Structure database (LMSD)

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LM IDLMFA01020103
Common Name6-methyl-5-octenoic acid
Systematic Name6-methyl-5-octenoic acid
Synonyms-
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 9:1
LIPIDBANK IDDFA7071
PubChem CID5282652
InChIKeyGZECLTXOPLOEJY-SOFGYWHQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O2/c1-3-8(2)6-4-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
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SMILES
C(/C)(\CC)=C/CCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
176.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.60Molar
Refractivity
45.53