Structure Database (LMSD)

Common Name
7Z-Octadecen-11-one
Systematic Name
7Z-Octadecen-11-one
Synonyms
LM ID
LMFA12000199
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
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)
LOKJWEJWAVZFDE-QBFSEMIESA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-3-5-7-9-10-11-13-15-17-18(19)16-14-12-8-6-4-2/h11,13H,3-10,12,14-17H2,1-2H3/b13-11-
SMILES (Click to copy)
CCCCCC/C=C\CCC(=O)CCCCCCC

Other Databases

PubChem CID
56936224

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.22
Molar Refractivity 85.52

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Created at
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Updated at
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