[2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane

C29H28O2P2 — CID 88740726

IUPAC[2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(CC2(CP(c3ccccc3)c3ccccc3)OCCO2)c2ccccc2)cc1
InChIInChI=1S/C29H28O2P2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)23-29(30-21-22-31-29)24-33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyLTWLTNOOYMXAAT-UHFFFAOYSA-N
MW470.49 g/mol
LogP5.00
Rot. Bonds8

About [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane

[2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane (PubChem CID 88740726) has the molecular formula C29H28O2P2 and a molecular weight of 470.49 g/mol. Its IUPAC name is [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane
PubChem CID88740726
Molecular FormulaC29H28O2P2
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name[2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(CC2(CP(c3ccccc3)c3ccccc3)OCCO2)c2ccccc2)cc1
InChIInChI=1S/C29H28O2P2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)23-29(30-21-22-31-29)24-33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyLTWLTNOOYMXAAT-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane (CID 88740726) is [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane is c1ccc(P(CC2(CP(c3ccccc3)c3ccccc3)OCCO2)c2ccccc2)cc1.
What is the InChIKey of [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane?
The InChIKey is LTWLTNOOYMXAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2P2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)23-29(30-21-22-31-29)24-33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane?
[2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane has a molecular weight of 470.49 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diphenylphosphanylmethyl)-1,3-dioxolan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 88740726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).