Gentisyl Quinone Isovalerate

• CAS: 849762-24-9
• Catalog Number: ACM849762249
• Category: Insect Pheromone
• Molecular Weight: 222.24
• Molecular Formula: C12H14O4
• Synonyms: Blattellaquinone
• IUPAC Name: (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl3-methylbutanoate
• Canonical SMILES: CC(C)CC(=O)OCC1=CC(=O)C=CC1=O
• InChI Key: JVMUMZYOAWLJQW-UHFFFAOYSA-N
• Boiling Point: 314.4ºC at 760 mmHg
• Flash Point: 136.2ºC
• Density: 1.16g/cm³
• Exact Mass: 222.08900

Custom Q&A

What is the molecular formula of Gentisyl quinone isovalerate?

The molecular formula of Gentisyl quinone isovalerate is C12H14O4.

When was Gentisyl quinone isovalerate created and modified in PubChem?

Gentisyl quinone isovalerate was created on 2006-10-26 and modified on 2023-12-23 in PubChem.

What is the IUPAC name of Gentisyl quinone isovalerate?

The IUPAC name of Gentisyl quinone isovalerate is (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl 3-methylbutanoate.

What is the InChIKey of Gentisyl quinone isovalerate?

The InChIKey of Gentisyl quinone isovalerate is JVMUMZYOAWLJQW-UHFFFAOYSA-N.

What is the canonical SMILES representation of Gentisyl quinone isovalerate?

The canonical SMILES representation of Gentisyl quinone isovalerate is CC(C)CC(=O)OCC1=CC(=O)C=CC1=O.

What is the molecular weight of Gentisyl quinone isovalerate?

The molecular weight of Gentisyl quinone isovalerate is 222.24 g/mol.

How many hydrogen bond acceptors does Gentisyl quinone isovalerate have?

Gentisyl quinone isovalerate has 4 hydrogen bond acceptors.

What is the topological polar surface area of Gentisyl quinone isovalerate?

The topological polar surface area of Gentisyl quinone isovalerate is 60.4 Ų.

How many defined atom stereocenters does Gentisyl quinone isovalerate have?

Gentisyl quinone isovalerate has 0 defined atom stereocenters.

Is Gentisyl quinone isovalerate a canonicalized compound in PubChem?

Yes, Gentisyl quinone isovalerate is a canonicalized compound in PubChem.