Structure Database (LMSD)
Common Name
2,6-Dimethyl-5-hepten-1-ol
Systematic Name
2,6-Dimethyl-5-hepten-1-ol
Synonyms
3D model of 2,6-Dimethyl-5-hepten-1-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
WFZFXUZFKAOTRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h5,9-10H,4,6-7H2,1-3H3
SMILES (Click to copy)
OCC(C)CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
170.41
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.65
Molar Refractivity
45.40
Admin
Created at
-
Updated at
28th Nov 2024