Structure Database (LMSD)
Common Name
(E)-gamma-bisabolene
Systematic Name
(1E)-bisabola-1(10),4,7(11)-triene (4E)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene
Synonyms
3D model of (E)-gamma-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)
XBGUIVFBMBVUEG-PFONDFGASA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-
SMILES (Click to copy)
C1C/C(/CC=C1C)=C(/C)\CC/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
5.18
Molar Refractivity
68.97
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Created at
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Updated at
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