Structure database (LMSD)

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LM IDLMFA01020156
Common Name3R-methyl-undecanoic acid
Systematic Name3R-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 IDDFA7124
PubChem CID5282686
InChIKeySHTJBHFHMAKAPT-LLVKDONJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)/t11-/m1/s1
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SMILES
C(C)CCCCCC[C@@H](C)CC(=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