Structure Database (LMSD)
Common Name
beta-Citronellol
Systematic Name
Synonyms
3D model of beta-Citronellol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
QMVPMAAFGQKVCJ-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
SMILES (Click to copy)
[C@H](C)(CCO)CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
187.71
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
3.04
Molar Refractivity
50.02
Admin
Created at
-
Updated at
-