Structure Database (LMSD)
Common Name
3E-octen-2-one
Systematic Name
3E-octen-2-one
Synonyms
- (E)-3-Octen-2-one
3D model of 3E-octen-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)
ZCFOBLITZWHNNC-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
SMILES (Click to copy)
CC(=O)/C=C/CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
150.47
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.32
Molar Refractivity
39.35
Admin
Created at
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Updated at
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