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


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

CHEBI ID
PubChem CID

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
-
Updated at
-