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Structure

Cyclopentyl 2,6-dimethylphenyl ketone

CAS
898791-52-1
Catalog Number
ACM898791521
Category
Other Products
Molecular Weight
202.29
Molecular Formula
C14H18O

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Specification

Synonyms
CYCLOPENTYL 2,6-DIMETHYLPHENYL KETONE
IUPAC Name
cyclopentyl-(2,6-dimethylphenyl)methanone
Canonical SMILES
CC1=C(C(=CC=C1)C)C(=O)C2CCCC2
InChI Key
UXXVCUNAMBGRMQ-UHFFFAOYSA-N
Boiling Point
310ºC at 760 mmHg
Flash Point
129.9ºC
Density
1.02g/cm³
Exact Mass
202.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclopentyl 2,6-dimethylphenyl ketone?

The molecular formula is C14H18O.

When was Cyclopentyl 2,6-dimethylphenyl ketone created in PubChem?

It was created on February 29, 2008.

What is the IUPAC name of Cyclopentyl 2,6-dimethylphenyl ketone?

The IUPAC name is cyclopentyl-(2,6-dimethylphenyl)methanone.

What is the molecular weight of Cyclopentyl 2,6-dimethylphenyl ketone?

The molecular weight is 202.29 g/mol.

What is the Canonical SMILES representation of Cyclopentyl 2,6-dimethylphenyl ketone?

The Canonical SMILES is CC1=C(C(=CC=C1)C)C(=O)C2CCCC2.

How many hydrogen bond donor counts does Cyclopentyl 2,6-dimethylphenyl ketone have?

It has 0 hydrogen bond donor counts.

What is the XLogP3-AA value of Cyclopentyl 2,6-dimethylphenyl ketone?

The XLogP3-AA value is 3.9.

How many rotatable bond counts does Cyclopentyl 2,6-dimethylphenyl ketone have?

It has 2 rotatable bond counts.

What is the exact mass of Cyclopentyl 2,6-dimethylphenyl ketone?

The exact mass is 202.135765193 g/mol.

Is Cyclopentyl 2,6-dimethylphenyl ketone considered as a canonical compound in PubChem?

Yes, it is considered as a canonical compound in PubChem.

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