Structure Database (LMSD)
Common Name
4-Methyl-1-pentanol
Systematic Name
4-Methyl-pentan-1-ol
Synonyms
3D model of 4-Methyl-1-pentanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
PCWGTDULNUVNBN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
SMILES (Click to copy)
CC(C)CCCO
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
1.70
Molar Refractivity
31.65
Admin
Created at
-
Updated at
-