Allylcyclohexane

• CAS: 2114-42-3
• Catalog Number: ACM-MO-2114423
• Category: Other Products; Alkenes; Allyl Monomers
• Molecular Weight: 124.23 g/mol
• Molecular Formula: C9H16
• Synonyms: 3-Cyclohexylpropene
• IUPAC Name: prop-2-enylcyclohexane
• Canonical SMILES: C=CCC1CCCCC1
• InChI: InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2
• InChI Key: KVOZXXSUSRZIKD-UHFFFAOYSA-N
• Boiling Point: 151 °C
• Flash Point: 29 °C
• Appearance: Colorless to Almost Colorless Clear Liquid
• Complexity: 78
• Covalently-Bonded Unit Count: 1
• EC Number: 218-316-4
• Exact Mass: 124.125201g/mol
• Formal Charge: 0
• Hazard Statements: H317
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 124.125201g/mol
• NSC Number: 110882
• Physical State: Liquid
• Refractive Index: 1.45
• RIDADR: UN1993 - class 3 - PG 3 - EHS - Flammable liquids, n.o.s., HI: all
• Rotatable Bond Count: 2
• Specific Gravity: 0.81
• Symbol: GHS07
• XLogP3: 4.1

Custom Q&A

What is the molecular formula of allylcyclohexane?

The molecular formula of allylcyclohexane is C9H16.

What is the molecular weight of allylcyclohexane?

The molecular weight of allylcyclohexane is 124.22 g/mol.

What is the IUPAC name of allylcyclohexane?

The IUPAC name of allylcyclohexane is prop-2-enylcyclohexane.

What is the InChI of allylcyclohexane?

The InChI of allylcyclohexane is InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2.

What is the InChIKey of allylcyclohexane?

The InChIKey of allylcyclohexane is KVOZXXSUSRZIKD-UHFFFAOYSA-N.

What is the canonical SMILES of allylcyclohexane?

The canonical SMILES of allylcyclohexane is C=CCC1CCCCC1.

What is the CAS number of allylcyclohexane?

The CAS number of allylcyclohexane is 2114-42-3.

What is the XLogP3-AA value of allylcyclohexane?

The XLogP3-AA value of allylcyclohexane is 4.1.

How many rotatable bond counts are there in allylcyclohexane?

There are 2 rotatable bond counts in allylcyclohexane.

Is allylcyclohexane a canonicalized compound?

Yes, allylcyclohexane is a canonicalized compound.