Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000001
Common Namedodecanol (W)
Systematic Namedodecanol
Synonyms-
Exact Mass
186.1984 (neutral)    Calculate m/z:
FormulaC12H26O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID8193
KEGG IDC02277
HMDB IDHMDB0011626
CHEBI ID28878
InChIKeyLQZZUXJYWNFBMV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
SMILESC(CCCCCCCCCCC)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
224.95Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.18Molar
Refractivity
59.42