Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000002
Common Nameundecan-2-one
Systematic Nameundecan-2-one
Synonyms-
Exact Mass
170.1671 (neutral)    Calculate m/z:
FormulaC11H22O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID8163
KEGG IDC01875
HMDB IDHMDB0033713
CHEBI ID17700
InChIKeyKYWIYKKSMDLRDC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
SMILESCC(=O)CCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
205.01Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.72Molar
Refractivity
53.29