Structure Database (LMSD)
Common Name
4-Hydroxyhexan-3-one
Systematic Name
4-Hydroxyhexan-3-one
Synonyms
- 3-Hydroxyhexan-4-one
3D model of 4-Hydroxyhexan-3-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)
SKCYVGUCBRYGTE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
SMILES (Click to copy)
CCC(=O)C(O)CC
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
127.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.02
Molar Refractivity
32.11
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Created at
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Updated at
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