Structure Database (LMSD)

Common Name
Heptadecan-2-one
Systematic Name
Heptadecan-2-one
Synonyms
LM ID
LMFA12000046
Formula
C17H34O
Exact Mass
Calculate m/z
254.260965
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
TVTCXPXLRKTHAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0031040
CHEBI ID
188010
PubChem CID
18027

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 308.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.06
Molar Refractivity 80.99

Admin

Created at
-
Updated at
-