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3A,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene

3A,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene

Inquiry

Molecular Formula:

C15H18

Molecular Weight:

198.3

CAS Number:

7158-25-0

Catalog Number:

7158-25-0

Product Information

Molecular Formula:

C15H18

Molecular Weight:

198.3

Description

Applications: Tricyclopentadiene (TCPD), is the product of dicyclopentadiene via cycloaddition, has been shown to be a promising candidate as a high-energy fuel.

Synonyms

3a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz[f]indene||||3a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-cyclopenta[a]naphthalene||||4,9:5,8-Dimethano-3a,4,4a,5,8,8a,9,9a-octahydro-1H-benzindene||||Cyclopentadiene trimer||||DMOB||||Pentacyclo[6.5.1.02,7.13,6.09,13]pentadeca-4,10-diene

IUPAC Name

pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene

Canonical SMILES

C1C=CC2C1C3CC2C4C3C5CC4C=C5

InChI

InChI=1S/C15H18/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h1-2,4-5,8-15H,3,6-7H2

InChI Key

XCGKRTHKVBCXLN-UHFFFAOYSA-N

Boiling Point

287.5±40.0 °C(Predicted)

Density

1.121±0.06 g/cm3(Predicted)

Solubility

water, 1.117 mg/L @ 25 °C (est)

Appearance

White to Off-White Solid

Storage

Refrigerator

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.140850574 g/mol

Monoisotopic Mass

198.140850574 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

378

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)

Mass

Concentration

Volume

Molecular Weight *

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

3A,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene

Product Information

Computed Properties

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