Structure Database (LMSD)

O
Common Name
6Z,9Z-Nonadecadien-3-one
Systematic Name
6Z,9Z-Nonadecadien-3-one
Synonyms
LM ID
LMFA12000206
Formula
C19H34O
Exact Mass
Calculate m/z
278.260965
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
KQDHAQAIMOEUOT-QGLGPCELSA-N
InChi (Click to copy)
InChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3/b13-12-,16-15-
SMILES (Click to copy)
CCC(=O)CC/C=C\C/C=C\CCCCCCCCC

References

Other Databases

CHEBI ID
179585
PubChem CID
13671273

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 338.13
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.39
Molar Refractivity 90.04

Admin

Created at
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Updated at
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