Structure Database (LMSD)
Common Name
5-Methylhexan-3-ol
Systematic Name
5-Methylhexan-3-ol
Synonyms
3D model of 5-Methylhexan-3-ol
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)
RGCZULIFYUPTAR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H16O/c1-4-7(8)5-6(2)3/h6-8H,4-5H2,1-3H3
SMILES (Click to copy)
CCC(O)CC(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
138.45
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.09
Molar Refractivity
36.26
Admin
Created at
-
Updated at
-