Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000035
Common Name10-methyl-1-dodecanol
Systematic Name10-methyl-1-dodecanol
Synonyms10-methyl-dodecan-1-ol
Exact Mass
200.2140 (neutral)    Calculate m/z:
FormulaC13H28O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283287
InChIKeyPVVKVEDVVCORDX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H28O/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3
SMILESC(C)(CC)CCCCCCCCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
242.25Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.43Molar
Refractivity
63.97