Bicyclo[3.2.1]-2-octene

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Molecular Formula:

C8H12

Molecular Weight:

108.18

CAS Number:

823-02-9

Catalog Number:

823-02-9

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

Canonical 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

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

108.093900383 g/mol

Monoisotopic Mass

108.093900383 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

113

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

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Bicyclo[3.2.1]-2-octene

Product Information

Computed Properties

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