Structure Database (LMSD)
Common Name
(Z)-alpha-bisabolene
Systematic Name
(9Z)-bisabola-4,7(11),9-triene 4-[(1Z)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene
Synonyms
3D model of (Z)-alpha-bisabolene
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)
YHBUQBJHSRGZNF-AUWJEWJLSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-
SMILES (Click to copy)
C1(CCC(CC=1)/C(/C)=C\C/C=C(/C)\C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
247.78
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.04
Molar Refractivity
68.90
Admin
Created at
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Updated at
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