Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000144
Common NameUndecan-1-ol
Systematic NameUndecan-1-ol
Synonyms-
Exact Mass
172.1827 (neutral)    Calculate m/z:
FormulaC11H24O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID8184
HMDB IDHMDB0013113
InChIKeyKJIOQYGWTQBHNH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
SMILESOCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
207.65Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.79Molar
Refractivity
54.80