Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000046
Common NameHeptadecan-2-one
Systematic NameHeptadecan-2-one
Synonyms-
Exact Mass
254.2610 (neutral)    Calculate m/z:
FormulaC17H34O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID18027
HMDB IDHMDB0031040
InChIKeyTVTCXPXLRKTHAU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
SMILESCC(=O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
308.81Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP6.06Molar
Refractivity
80.99