diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane

C8H20O4P2 — CID 13383716

IUPACdiethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane
SMILESCCOP(CP(C)(=O)OCC)OCC
InChIInChI=1S/C8H20O4P2/c1-5-10-13(11-6-2)8-14(4,9)12-7-3/h5-8H2,1-4H3
InChIKeyAOPFCTVSTUTDHB-UHFFFAOYSA-N
MW242.19 g/mol
LogP3.27
Rot. Bonds8

About diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane

diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane (PubChem CID 13383716) has the molecular formula C8H20O4P2 and a molecular weight of 242.19 g/mol. Its IUPAC name is diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane.

Molecular Properties

Compound Namediethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane
PubChem CID13383716
Molecular FormulaC8H20O4P2
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Namediethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane
SMILESCCOP(CP(C)(=O)OCC)OCC
InChIInChI=1S/C8H20O4P2/c1-5-10-13(11-6-2)8-14(4,9)12-7-3/h5-8H2,1-4H3
InChIKeyAOPFCTVSTUTDHB-UHFFFAOYSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane 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 diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane?
The IUPAC name of diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane (CID 13383716) is diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane.
What is the SMILES notation for diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane?
The canonical SMILES for diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane is CCOP(CP(C)(=O)OCC)OCC.
What is the InChIKey of diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane?
The InChIKey is AOPFCTVSTUTDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4P2/c1-5-10-13(11-6-2)8-14(4,9)12-7-3/h5-8H2,1-4H3.
What are the key properties of diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane?
diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane has a molecular weight of 242.19 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[[ethoxy(methyl)phosphoryl]methyl]phosphane is sourced from PubChem (CID 13383716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).