Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone

CAS
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CAS
898794-70-2
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898794702

Product Name

Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone

Structure

Structure

CAS

898794-70-2

Category

Heterocyclic Organic Compound

Synonyms

CYCLOHEXYL 2-(2,4-DIMETHYLPHENYL)ETHYL KETONE

IUPAC Name

1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one

Molecular Weight

244.37

Molecular Formula

C₁₇H₂₄O

Canonical SMILES

CC1=CC(=C(C=C1)CCC(=O)C2CCCCC2)C

InChI Key

LZWHAMVGCFTGLE-UHFFFAOYSA-N

Boiling Point

363.4ºC at 760 mmHg

Flash Point

154.8ºC

Density

0.987g/cm³

Exact Mass

244.18300

H-Bond Acceptor

1

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The molecular formula is C17H24O.

When was Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone created and modified?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the IUPAC name of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The IUPAC name is 1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one.

What is the InChI of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The InChI is InChI=1S/C17H24O/c1-13-8-9-15(14(2)12-13)10-11-17(18)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3.

What is the InChIKey of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The InChIKey is LZWHAMVGCFTGLE-UHFFFAOYSA-N.

What is the Canonical SMILES of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The Canonical SMILES is CC1=CC(=C(C=C1)CCC(=O)C2CCCCC2.

What is the molecular weight of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The molecular weight is 244.37 g/mol.

What is the XLogP3-AA value of Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone?

The XLogP3-AA value is 4.6.

How many hydrogen bond donor counts does Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone have?

It has 0 hydrogen bond donor counts.

Is Cyclohexyl 2-(2,4-dimethylphenyl)ethyl ketone a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

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