Structure Database (LMSD)

Common Name
(Z)-gamma-bisabolene
Systematic Name
(1Z)-bisabola-1(10),4,7(11)-triene (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene
Synonyms
LM ID
LMPR0103060004
Formula
Exact Mass
Calculate m/z
204.1878
Status
Active

Classification

String Representations

InChiKey (Click to copy)
XBGUIVFBMBVUEG-CCEZHUSRSA-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(C)CC/C/1=C(\C)/CC/C=C(/C)\C

Other Databases

KEGG ID
CHEBI ID
PubChem CID

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

Admin

Created at
-
Updated at
-