Structure database (LMSD)

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LM IDLMFA07040128
Common Name10S-methyl-6R-dodecanolide
Systematic Name10S-methyl-6R-dodecanolide
Synonyms-
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 13:1
PubChem CID10375901
InChIKeyFWCJVEHVQQNKBH-NWDGAFQWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H24O2/c1-3-11(2)7-6-9-12-8-4-5-10-13(14)15-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
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SMILES
C1CC(=O)O[C@@H](CCC[C@@H](C)CC)CC1
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StatusActive
ReferencesNovel caprolactones from a marine streptomycete
J Nat Prod
DOI: 10.1021/np030321z
PMID: 15043417
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
236.04Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.97Molar
Refractivity
62.17