Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000036
Common Name3S,7S-dimethyl-2S-tridecanol
Systematic Name3S,7S-dimethyl-2S-tridecanol
Synonyms3S,7S-dimethyl-tridecan-2S-ol
Exact Mass
228.2453 (neutral)    Calculate m/z:
FormulaC15H32O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283288
InChIKeyGSOHTXXXDWFCAJ-KKUMJFAQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t1
3-,14-,15-/m0/s1
SMILESC(CC)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
276.85Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.07Molar
Refractivity
73.13