Structure database (LMSD)

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LM IDLMFA01020106
Common Name5-methyl-2-undecenoic acid
Systematic Name5-methyl-2-undecenoic acid
Synonyms-
Exact Mass
198.1620 (neutral)    Calculate m/z:
FormulaC12H22O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 12:1
LIPIDBANK IDDFA7074
PubChem CID5282654
InChIKeyROYFWQWGQUTENN-JXMROGBWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h7,10-11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+
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SMILES
C(C)CCCCC(C)C/C=C/C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
228.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.62Molar
Refractivity
59.32