Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000044
Common Name3S,7S-dimethyl-2-hexadecanol
Systematic Name3S,7S-dimethyl-2-hexadecanol
Synonyms3S,7S-dimethyl-hexadecan-2-ol
Exact Mass
270.2923 (neutral)    Calculate m/z:
FormulaC18H38O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283294
InChIKeySVMAWHNAUKMUBF-BZSNNMDCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H38O/c1-5-6-7-8-9-10-11-13-16(2)14-12-15-17(3)18(4)19/h16-19H,5-15H2
,1-4H3/t16-,17-,18-/m0/s1
SMILESC(CCCCC)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
328.75Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.24Molar
Refractivity
86.98