Bicyclo[3.2.1]-2-octene
Product Information
Molecular Formula
C8H12
Molecular Weight
108.18
Description
Bicyclo[3.2.1]-2-octene is a key compound used in biomedical research for the development of novel drugs and therapies. This versatile molecule serves as a building block in the synthesis of pharmaceuticals targeting various diseases such as cancer, inflammatory conditions, and neurological disorders. Its unique structure offers potential therapeutic benefits and is crucial in drug discovery and medicinal chemistry efforts.
Synonyms
BICYCLO[3.2.1]-2-OCTENE; bicyclo[3.2.1]oct-3-ene
IUPAC Name
bicyclo[3.2.1]oct-2-ene
SMILES
C1CC2CC1CC=C2
InChI
InChI=1S/C8H12/c1-2-7-4-5-8(3-1)6-7/h1-2,7-8H,3-6H2
InChI Key
YEHSTKKZWWSIMD-UHFFFAOYSA-N
Boiling Point
135
Melting Point
39
Purity
>98.0%(GC)
Density
0.93 g/cm3
Appearance
White or Colorless powder to lump
Computed Properties
XLogP3
2.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
108.093900383 g/mol
Monoisotopic Mass
108.093900383 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
113
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
