Dicyclohexyl carbonate

• CAS: 4427-97-8
• Catalog Number: ACM4427978
• Category: Main Products
• Molecular Weight: 0
• Molecular Formula: C₁₃H₂₂O₃
• Synonyms: Dicyclohexyl carbonate

Custom Q&A

What is the molecular weight of dicyclohexyl carbonate?

The molecular weight of dicyclohexyl carbonate is 226.31 g/mol.

What is the IUPAC name of dicyclohexyl carbonate?

The IUPAC name of dicyclohexyl carbonate is dicyclohexyl carbonate.

What is the InChI of dicyclohexyl carbonate?

The InChI of dicyclohexyl carbonate is InChI=1S/C13H22O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2.

What is the InChIKey of dicyclohexyl carbonate?

The InChIKey of dicyclohexyl carbonate is FYIBPWZEZWVDQB-UHFFFAOYSA-N.

What is the canonical SMILES of dicyclohexyl carbonate?

The canonical SMILES of dicyclohexyl carbonate is C1CCC(CC1)OC(=O)OC2CCCCC2.

What is the CAS number of dicyclohexyl carbonate?

The CAS number of dicyclohexyl carbonate is 4427-97-8.

What is the XLogP3-AA value of dicyclohexyl carbonate?

The XLogP3-AA value of dicyclohexyl carbonate is 4.1.

How many hydrogen bond acceptor count does dicyclohexyl carbonate have?

Dicyclohexyl carbonate has 3 hydrogen bond acceptor count.

How many rotatable bond count does dicyclohexyl carbonate have?

Dicyclohexyl carbonate has 4 rotatable bond count.

Is dicyclohexyl carbonate a canonicalized compound?

Yes, dicyclohexyl carbonate is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 124-38-9
• 108-93-0

• 4427-97-8

Reference: [1] Patent: EP1460056, 2004, A1, . Location in patent: Page 32-33

Upstream Synthesis Route 2

• 616-38-6
• 108-93-0

• 4427-97-8

Reference: [1] Organic Letters, 2011, vol. 13, # 3, p. 430 - 433

Upstream Synthesis Route 3

• 616-38-6
• 108-93-0

• 4427-97-8
• 25066-36-8

Reference: [1] Organic and Biomolecular Chemistry, 2012, vol. 10, # 32, p. 6569 - 6578

Upstream Synthesis Route 4

• 154992-24-2
• 13248-54-9

• 4427-97-8

Reference: [1]Patent: US6242611,2001,B1

Upstream Synthesis Route 5

• 2171-74-6
• 108-93-0

• 4427-97-8

Reference: [1]Green Chemistry,2017,vol. 19,p. 1519 - 1528