Structure database (LMSD)

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LM IDLMPR0103060004
Common Name(Z)-γ-bisabolene
Systematic Name(1Z)-bisabola-1(10),4,7(11)-triene (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-
methylcyclohexene
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Bisabolane sesquiterpenoids [PR010306]
PubChem CID3033866
CHEBI ID49238
InChIKeyXBGUIVFBMBVUEG-CCEZHUSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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/b
15-14+
SMILESC1C=C(C)CC/C/1=C(\C)/CC/C=C(/C)\C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
247.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.18Molar
Refractivity
68.97