Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000171
Common NameTridecan-1-ol
Systematic NameTridecan-1-ol
Synonyms-
Exact Mass
200.2140 (neutral)    Calculate m/z:
FormulaC13H28O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID8207
HMDB IDHMDB0013316
InChIKeyXFRVVPUIAFSTFO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
SMILESOCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
242.25Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.57Molar
Refractivity
64.04