Structure Database (LMSD)
Common Name
3E-Nonen-2-one
Systematic Name
3E-Nonen-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3E-Nonen-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HDKLIZDXVUCLHQ-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
SMILES (Click to copy)
CC(=O)/C=C/CCCCC
References
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
Admin
Created at
-
Updated at
-