Structure Database (LMSD)
Common Name
(4E,8E)-beta-humulene
Systematic Name
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (4E,8E)-humula-4,8,11-triene
Synonyms
- (1E,5E)-1,4,4-trimethyl-8-methylenecycloundeca-1,5-diene
- (E,E)-1,4,4-trimethyl-8-methylene-1,5-cycloundecadiene
3D model of (4E,8E)-beta-humulene
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)
HAVYZKHVTLAPDZ-PPGMXFKZSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10+
SMILES (Click to copy)
C1C(C)(C)C=CCC(=C)CCCC(C)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
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
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Created at
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Updated at
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