Structure database (LMSD)

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LM IDLMPR0103110005
Common Name(4E,8E)-β-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
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Humulane sesquiterpenoids [PR010311]
PubChem CID5318102
CHEBI ID49312
InChIKeyHAVYZKHVTLAPDZ-PPGMXFKZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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+
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SMILES
C1C(C)(C)C=CCC(=C)CCCC(C)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
247.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.04Molar
Refractivity
68.90