Structure Database (LMSD)

Common Name
8Z-Pentadecen-2-one
Systematic Name
8Z-Pentadecen-2-one
Synonyms
LM ID
LMFA12000180
Formula
C15H28O
Exact Mass
Calculate m/z
224.214015
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
ZKFXKERVFKDOLF-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h8-9H,3-7,10-14H2,1-2H3/b9-8-
SMILES (Click to copy)
CC(=O)CCCCC/C=C\CCCCCC

Other Databases

PubChem CID
12811248

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 271.57
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.05
Molar Refractivity 71.67

Admin

Created at
-
Updated at
-