Structure Database (LMSD)
Common Name
5-Nonen-2-one
Systematic Name
5-Nonen-2-one
Synonyms
3D model of 5-Nonen-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
RXFZCBZCGBDPDT-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+
SMILES (Click to copy)
CC(=O)CC/C=C/CCC
Other Databases
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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