2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride

C36H83BF4O8P4+2 — CID 159739962

About 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride

2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride (PubChem CID 159739962) has the molecular formula C36H83BF4O8P4+2 and a molecular weight of 854.75 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride.

Molecular Properties

• Compound Name: 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride
• PubChem CID: 159739962
• Molecular Formula: C36H83BF4O8P4+2
• Molecular Weight: 854.75 g/mol
• Exact Mass: 854.51
• IUPAC Name: 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride
• SMILES: C=O.C=O.C=O.C=O.CCC[PH+](CCC)CCP(CCOCC)CCOCC.CCC[PH+](CCC)CC[PH+](CCOCC)CCOCC.FB(F)F.[F-]
• InChI: InChI=1S/2C16H36O2P2.4CH2O.BF3.FH/c2*1-5-11-19(12-6-2)15-16-20(13-9-17-7-3)14-10-18-8-4;4*1-2;2-1(3)4;/h2*5-16H2,1-4H3;4*1H2;;1H/p+2
• InChIKey: NCICSJSNTBDFBR-UHFFFAOYSA-P
• XLogP: 6.03
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.75
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride?

The IUPAC name of 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride (CID 159739962) is 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride.

What is the SMILES notation for 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride?

The canonical SMILES for 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride is C=O.C=O.C=O.C=O.CCC[PH+](CCC)CCP(CCOCC)CCOCC.CCC[PH+](CCC)CC[PH+](CCOCC)CCOCC.FB(F)F.[F-].

What is the InChIKey of 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride?

The InChIKey is NCICSJSNTBDFBR-UHFFFAOYSA-P. The full InChI is InChI=1S/2C16H36O2P2.4CH2O.BF3.FH/c2*1-5-11-19(12-6-2)15-16-20(13-9-17-7-3)14-10-18-8-4;4*1-2;2-1(3)4;/h2*5-16H2,1-4H3;4*1H2;;1H/p+2.

What are the key properties of 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride?

2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride has a molecular weight of 854.75 g/mol, XLogP of 6.03, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis(2-ethoxyethyl)phosphaniumyl]ethyl-dipropylphosphanium;2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphanium;formaldehyde;trifluoroborane;fluoride is sourced from PubChem (CID 159739962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).