1,1-Dimethyl-4-chloro-3,5-cyclohexanedione

• CAS: 7298-89-7
• Catalog Number: ACM7298897
• Category: Other Products
• Molecular Weight: 174.62
• Molecular Formula: C₈H₁₁ClO₂
• Synonyms: chlorodimedone;1,1-DIMETHYL-4-CHLORO-3,5-CYCLOHEXANEDIONE;2-CHLORODIMEDONE;2-CHLORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE;MONOCHLORODIMEDON;2-chloro-5,5-dimethyl-cyclohexane-1,3-dione;1,3-Cyclohexanedione, 2-chloro-5,5-dimethyl-;Monochlorodimedone
• Melting Point: 161-164°C(lit.)
• Safety Description: 22-24/25
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The molecular formula of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is C8H11ClO2.

What is the molecular weight of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The molecular weight of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is 174.62 g/mol.

What is the IUPAC name of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The IUPAC name of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is 2-chloro-5,5-dimethylcyclohexane-1,3-dione.

What is the InChI of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The InChI of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3.

What is the InChIKey of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The InChIKey of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is VOBIHUAWDXUCPH-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The Canonical SMILES of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is CC1(CC(=O)C(C(=O)C1)Cl)C.

What is the XLogP3-AA value of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The XLogP3-AA value of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is 1.5.

How many hydrogen bond acceptors are there in 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

There are 2 hydrogen bond acceptors in 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione.

What is the topological polar surface area of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione?

The topological polar surface area of 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is 34.1 Ų.

Is 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione a canonicalized compound?

Yes, 1,1-Dimethyl-4-chloro-3,5-cyclohexanedione is a canonicalized compound.