Structure Database (LMSD)
Common Name
Thujane skeleton
Systematic Name
4-Methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexane
Synonyms
LM ID
LMPR0102120029
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Thujane skeleton
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)
GCTNBVHDRFKLLK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
SMILES (Click to copy)
C1C(C)C2C(C(C)C)(C2)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
156.84
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.08
Molar Refractivity
43.78
Admin
Created at
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Updated at
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