Structure Database (LMSD)

Common Name
6E-Nonen-2-one
Systematic Name
6E-Nonen-2-one
Synonyms
LM ID
LMFA12000134
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
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)
TVHAWOPAFXXIQM-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h4-5H,3,6-8H2,1-2H3/b5-4+
SMILES (Click to copy)
CC(=O)CCC/C=C/CC

Other Databases

CHEBI ID
195716
PubChem CID
13455588

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.71
Molar Refractivity 43.96

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Created at
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Updated at
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