[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane

C30H32O2P2 — CID 88682846

IUPAC[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane
SMILESCCOCCOCC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O2P2/c1-2-31-23-24-32-25-30(33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30H,2,23-25H2,1H3
InChIKeyZSDOEJXXLBTUFK-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.63
Rot. Bonds12

About [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane

[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane (PubChem CID 88682846) has the molecular formula C30H32O2P2 and a molecular weight of 486.53 g/mol. Its IUPAC name is [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane
PubChem CID88682846
Molecular FormulaC30H32O2P2
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane
SMILESCCOCCOCC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O2P2/c1-2-31-23-24-32-25-30(33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30H,2,23-25H2,1H3
InChIKeyZSDOEJXXLBTUFK-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane?
The IUPAC name of [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane (CID 88682846) is [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane.
What is the SMILES notation for [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane?
The canonical SMILES for [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane is CCOCCOCC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane?
The InChIKey is ZSDOEJXXLBTUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O2P2/c1-2-31-23-24-32-25-30(33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30H,2,23-25H2,1H3.
What are the key properties of [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane?
[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane has a molecular weight of 486.53 g/mol, XLogP of 5.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane is sourced from PubChem (CID 88682846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).