1,6-Bis(diphenylphosphino)hexane

• CAS: 19845-69-3
• Catalog Number: ACM19845693-2
• Category: Other Phosphine Ligands
• Molecular Weight: 454.52
• Molecular Formula: C30H32P2
• Synonyms: Hexamethylenebis(diphenylphosphine); 6-Diphenylphosphanylhexyl(Diphenyl)Phosphane
• IUPAC Name: 6-Diphenylphosphanylhexyl(diphenyl)phosphane
• SMILES: C1=CC=C(C=C1)P(CCCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• InChI: InChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
• InChI Key: GPORFKPYXATYNX-UHFFFAOYSA-N
• Boiling Point: 564.0±33.0°C (Predicted)
• Melting Point: 124-126°C (lit.)
• Appearance: Solid
• Application: suzuki reaction
• Complexity: 387
• Covalently-Bonded Unit Count: 1
• Exact Mass: 454.198g/mol
• Heavy Atom Count: 32
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• Monoisotopic Mass: 454.198g/mol
• Physical State: Solid
• Rotatable Bond Count: 11
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of 1,6-Bis(diphenylphosphino)hexane?

The molecular formula is C30H32P2.

What is the molecular weight of 1,6-Bis(diphenylphosphino)hexane?

The molecular weight is 454.5 g/mol.

What is the IUPAC Name of 1,6-Bis(diphenylphosphino)hexane?

The IUPAC Name is 6-diphenylphosphanylhexyl(diphenyl)phosphane.

What is the InChIKey of 1,6-Bis(diphenylphosphino)hexane?

The InChIKey is GPORFKPYXATYNX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1,6-Bis(diphenylphosphino)hexane have?

It has 0 hydrogen bond donor count.

What is the XLogP3-AA value of 1,6-Bis(diphenylphosphino)hexane?

The XLogP3-AA value is 7.3.

How many rotatable bond counts does 1,6-Bis(diphenylphosphino)hexane have?

It has 11 rotatable bond counts.

What is the exact mass of 1,6-Bis(diphenylphosphino)hexane?

The exact mass is 454.19792502 g/mol.

How many heavy atom counts does 1,6-Bis(diphenylphosphino)hexane have?

It has 32 heavy atom counts.

Is 1,6-Bis(diphenylphosphino)hexane a canonicalized compound?

Yes, it is a canonicalized compound.