Structure database (LMSD)

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LM IDLMFA01020056
Common Name5-methyl-undecanoic acid
Systematic Name5-methyl-undecanoic acid
Synonyms-
Exact Mass
200.1776 (neutral)    Calculate m/z:
FormulaC12H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 12:0
LIPIDBANK IDDFA7024
PubChem CID5282635
InChIKeyQGQVTZUPMLKUNC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
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SMILES
C(C)CCCCC(C)CCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
231.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.85Molar
Refractivity
59.41