Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000046
Common Name8E,10E-dodecadien-1-ol
Systematic Name8E,10E-dodecadien-1-ol
Synonymsdodecan-8E,10E-dien-1-ol
Exact Mass
182.1671 (neutral)    Calculate m/z:
FormulaC12H22O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID1787910
InChIKeyCSWBSLXBXRFNST-MQQKCMAXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
SMILESC(=C/C)\C=C\CCCCCCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
219.67Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.74Molar
Refractivity
59.23