Structure Database (LMSD)
Common Name
Bisabolane skeleton
Systematic Name
1-(1,5-Dimethylhexyl)-4-methylcyclohexane
Synonyms
LM ID
LMPR0103060000
Status
Active
3D model of Bisabolane skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
NOWQRWPUNHMSAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3
SMILES (Click to copy)
C(C(C)C1CCC(C)CC1)CCC(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
255.70
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.28
Molar Refractivity
68.98
Admin
Created at
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Updated at
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