2-Allylcyclohexanone

• CAS: 94-66-6
• Catalog Number: ACM-MO-94666
• Category: Other Products; Allyl Monomers
• Molecular Weight: 138.21 g/mol
• Molecular Formula: C9H14O
• IUPAC Name: 2-prop-2-enylcyclohexan-1-one
• Canonical SMILES: C=CCC1CCCCC1=O
• InChI: InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2
• InChI Key: UPGHEUSRLZSXAE-UHFFFAOYSA-N
• Boiling Point: 94 °C/23 mmHg
• Appearance: Colorless to Light Yellow to Light Orange Clear Liquid
• Storage: 0-10 °C
• Complexity: 138
• Condition To Avoid: Air Sensitive,Heat Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 202-352-2
• Exact Mass: 138.104465g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 138.104465g/mol
• NSC Number: 128921
• Physical State: Liquid
• Refractive Index: 1.47
• Rotatable Bond Count: 2
• Specific Gravity: 0.94
• XLogP3: 2.1

Custom Q&A

What is the molecular formula of 2-Allylcyclohexanone?

The molecular formula of 2-Allylcyclohexanone is C9H14O.

What is the molecular weight of 2-Allylcyclohexanone?

The molecular weight of 2-Allylcyclohexanone is 138.21 g/mol.

What is the IUPAC name of 2-Allylcyclohexanone?

The IUPAC name of 2-Allylcyclohexanone is 2-prop-2-enylcyclohexan-1-one.

What is the InChI of 2-Allylcyclohexanone?

The InChI of 2-Allylcyclohexanone is InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2.

What is the InChIKey of 2-Allylcyclohexanone?

The InChIKey of 2-Allylcyclohexanone is UPGHEUSRLZSXAE-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Allylcyclohexanone?

The Canonical SMILES of 2-Allylcyclohexanone is C=CCC1CCCCC1=O.

What is the CAS number of 2-Allylcyclohexanone?

The CAS number of 2-Allylcyclohexanone is 94-66-6.

What is the XLogP3-AA value of 2-Allylcyclohexanone?

The XLogP3-AA value of 2-Allylcyclohexanone is 2.1.

How many hydrogen bond donor counts does 2-Allylcyclohexanone have?

2-Allylcyclohexanone has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Allylcyclohexanone have?

2-Allylcyclohexanone has 1 hydrogen bond acceptor count.