Structure Database (LMSD)
Common Name
Hexan-2-ol
Systematic Name
Hexan-2-ol
Synonyms
3D model of Hexan-2-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
QNVRIHYSUZMSGM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
SMILES (Click to copy)
CC(O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
121.15
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
1.84
Molar Refractivity
31.72
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Created at
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Updated at
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