Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010212
Common NameDecyl acetate
Systematic NameDecyl acetate
Synonyms-
Exact Mass
200.1776 (neutral)    Calculate m/z:
FormulaC12H24O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID8167
HMDB IDHMDB0040166
InChIKeyNUPSHWCALHZGOV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
SMILESO(C(=O)C)CCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
231.10Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.97Molar
Refractivity
59.73