Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000038
Common Name3S,7S-dimethyl-2S-tetradecanol
Systematic Name3S,7S-dimethyl-2S-tetradecanol
Synonyms3S,7S-dimethyl-tetradecan-2S-ol
Exact Mass
242.2610 (neutral)    Calculate m/z:
FormulaC16H34O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283289
InChIKeyJTZIYJDXBDDKLA-JYJNAYRXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H34O/c1-5-6-7-8-9-11-14(2)12-10-13-15(3)16(4)17/h14-17H,5-13H2,1-4H3
/t14-,15-,16-/m0/s1
SMILESC(CCC)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
294.15Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.46Molar
Refractivity
77.75