Structure Database (LMSD)
Common Name
3-Hydroxyoctan-2-one
Systematic Name
3-Hydroxyoctan-2-one
Synonyms
3D model of 3-Hydroxyoctan-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)
QWEHQNZGVUHHME-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h8,10H,3-6H2,1-2H3
SMILES (Click to copy)
CC(=O)C(O)CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
161.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.80
Molar Refractivity
41.34
Admin
Created at
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Updated at
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