2,4-Dicyclopentyl-6-isopropyl-m-cresol

CAS
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Purity
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CAS
94022-20-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94022205

Product Name

2,4-Dicyclopentyl-6-isopropyl-m-cresol

Structure

Structure

CAS

94022-20-5

Category

Heterocyclic Organic Compound

Synonyms

EINECS 301-515-6, CID3023305, 2,4-Dicyclopentyl-6-isopropyl-m-cresol, 94022-20-5

IUPAC Name

2,4-dicyclopentyl-3-methyl-6-propan-2-ylphenol

Molecular Weight

286.451600 [g/mol]

Molecular Formula

C₂₀H₃₀O

Canonical SMILES

CC1=C(C(=C(C=C1C2CCCC2)C(C)C)O)C3CCCC3

InChI Key

VOPQGBODWYLZQY-UHFFFAOYSA-N

Boiling Point

362.1ºC at 760mmHg

Flash Point

163.3ºC

Density

1.018g/cm³

EC Number

301-515-6

Exact Mass

286.23000

H-Bond Acceptor

1

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The molecular formula is C20H30O.

What is the molecular weight of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The molecular weight is 286.5 g/mol.

What is the IUPAC name of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The IUPAC name is 2,4-dicyclopentyl-3-methyl-6-propan-2-ylphenol.

What is the InChI of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The InChI is InChI=1S/C20H30O/c1-13(2)17-12-18(15-8-4-5-9-15)14(3)19(20(17)21)16-10-6-7-11-16/h12-13,15-16,21H,4-11H2,1-3H3.

What is the InChIKey of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The InChIKey is VOPQGBODWYLZQY-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The Canonical SMILES is CC1=C(C(=C(C=C1C2CCCC2)C(C)C)O)C3CCCC3.

What is the CAS number of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The CAS number is 94022-20-5.

What is the XLogP3-AA value of 2,4-Dicyclopentyl-6-isopropyl-m-cresol?

The XLogP3-AA value is 7.

How many hydrogen bond donor counts does 2,4-Dicyclopentyl-6-isopropyl-m-cresol have?

It has 1 hydrogen bond donor count.

Is 2,4-Dicyclopentyl-6-isopropyl-m-cresol a canonicalized compound?

Yes, it is a canonicalized compound.

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