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1,1,5,5-Tetramethyl-2-(prop-1-en-2-yl)-3-(2,2,4-trimethylpentyl)cyclohexane

1,1,5,5-Tetramethyl-2-(prop-1-en-2-yl)-3-(2,2,4-trimethylpentyl)cyclohexane

Inquiry

Molecular Formula:

C21H40

Molecular Weight:

292.5

CAS Number:

114123-73-8

Catalog Number:

114123-73-8

Product Information

Molecular Formula:

C21H40

Molecular Weight:

292.5

Description

Applications: 1,1,5,5-Tetramethyl-2-(prop-1-en-2-yl)-3-(2,2,4-trimethylpentyl)cyclohexane is an oligomer for the preparation of butyl rubber and in the copolymerization of isoprene.

Synonyms

Rubber Oligomer

IUPAC Name

(2S,3R)-1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane

Canonical SMILES

CC(C)CC(C)(C)CC1CC(CC(C1C(=C)C)(C)C)(C)C

InChI

InChI=1S/C21H40/c1-15(2)11-19(5,6)12-17-13-20(7,8)14-21(9,10)18(17)16(3)4/h15,17-18H,3,11-14H2,1-2,4-10H3/t17-,18-/m1/s1

InChI Key

RKIRUWUUGLPTCW-QZTJIDSGSA-N

Boiling Point

335.0±9.0 °C(Predicted)

Density

0.799±0.06 g/cm3(Predicted)

Computed Properties

XLogP3

8.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

292.313001276 g/mol

Monoisotopic Mass

292.313001276 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

368

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

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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)

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1,1,5,5-Tetramethyl-2-(prop-1-en-2-yl)-3-(2,2,4-trimethylpentyl)cyclohexane

Product Information

Computed Properties

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