Structure Database (LMSD)
Common Name
1-Hydroxy-3-octanone
Systematic Name
1-hydroxyoctan-3-one
Synonyms
3D model of 1-Hydroxy-3-octanone
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)
VGFJNJIGFHOBEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h9H,2-7H2,1H3
SMILES (Click to copy)
CCCCCC(=O)CCO
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
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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