Structure database (LMSD)

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LM IDLMFA01030994
Common Name8-Methylnonenoate
Systematic Name(6E)-8-methylnon-6-enoic acid
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 10:1
PubChem CID5365959
KEGG IDC18202
HMDB IDHMDB0012183
CHEBI ID81581
CAYMAN ID16609
InChIKeyOCALSPDXYQHUHA-FNORWQNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
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SMILES
CC(/C=C/CCCCC(=O)O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
193.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.84Molar
Refractivity
50.08