Structure Database (LMSD)

Common Name
3-Ethylpentadecan-2-one
Systematic Name
3-Ethylpentadecan-2-one
Synonyms
LM ID
LMFA12000263
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)
LSZXJOXALPPNQS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O/c1-4-6-7-8-9-10-11-12-13-14-15-17(5-2)16(3)18/h17H,4-15H2,1-3H3
SMILES (Click to copy)
CC(=O)C(CC)CCCCCCCCCCCC

Other Databases

PubChem CID
56936238

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 308.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.91
Molar Refractivity 80.92

Admin

Created at
-
Updated at
-