Structure Database (LMSD)
Common Name
Pinane skeleton
Systematic Name
2,6,6-Trimethylbicyclo[3.1.1]heptane
Synonyms
LM ID
LMPR0102120026
Status
Active
3D model of Pinane 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)
XOKSLPVRUOBDEW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
SMILES (Click to copy)
C12C(C)(C)C(CCC1C)C2
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
153.04
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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