Structure Database (LMSD)

Common Name
6Z,8E-Heneicosadien-11-one
Systematic Name
6Z,8E-Heneicosadien-11-one
Synonyms
LM ID
LMFA12000216
Formula
C21H38O
Exact Mass
Calculate m/z
306.292265
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Orgyia vetusta (#335474)
Insecta (#50557)
(Z,E)-6,8-heneicosadien-11-one: major sex-pheromone component of Orgyia vetusta (Lepidoptera: Lymantriidae),
Can Entomol, 2005

String Representations

InChiKey (Click to copy)
OOYMTGLPPRCUKK-WREYUNAZSA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16,18-20H2,1-2H3/b13-11-,17-15+
SMILES (Click to copy)
CCCCC/C=C\C=C\CC(=O)CCCCCCCCCC

Other Databases

PubChem CID
11324237

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 372.73
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.17
Molar Refractivity 99.27

Admin

Created at
-
Updated at
22nd Apr 2022