1-diethoxyphosphorylethenyl diethyl phosphite

C10H22O6P2 — CID 12545895

IUPAC1-diethoxyphosphorylethenyl diethyl phosphite
SMILESC=C(OP(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H22O6P2/c1-6-12-17(13-7-2)16-10(5)18(11,14-8-3)15-9-4/h5-9H2,1-4H3
InChIKeyCGPIPJRDDOCHEJ-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.04
Rot. Bonds11

About 1-diethoxyphosphorylethenyl diethyl phosphite

1-diethoxyphosphorylethenyl diethyl phosphite (PubChem CID 12545895) has the molecular formula C10H22O6P2 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-diethoxyphosphorylethenyl diethyl phosphite.

Molecular Properties

Compound Name1-diethoxyphosphorylethenyl diethyl phosphite
PubChem CID12545895
Molecular FormulaC10H22O6P2
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name1-diethoxyphosphorylethenyl diethyl phosphite
SMILESC=C(OP(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H22O6P2/c1-6-12-17(13-7-2)16-10(5)18(11,14-8-3)15-9-4/h5-9H2,1-4H3
InChIKeyCGPIPJRDDOCHEJ-UHFFFAOYSA-N
XLogP4.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-diethoxyphosphorylethenyl diethyl phosphite 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 1-diethoxyphosphorylethenyl diethyl phosphite?
The IUPAC name of 1-diethoxyphosphorylethenyl diethyl phosphite (CID 12545895) is 1-diethoxyphosphorylethenyl diethyl phosphite.
What is the SMILES notation for 1-diethoxyphosphorylethenyl diethyl phosphite?
The canonical SMILES for 1-diethoxyphosphorylethenyl diethyl phosphite is C=C(OP(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylethenyl diethyl phosphite?
The InChIKey is CGPIPJRDDOCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6P2/c1-6-12-17(13-7-2)16-10(5)18(11,14-8-3)15-9-4/h5-9H2,1-4H3.
What are the key properties of 1-diethoxyphosphorylethenyl diethyl phosphite?
1-diethoxyphosphorylethenyl diethyl phosphite has a molecular weight of 300.23 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylethenyl diethyl phosphite is sourced from PubChem (CID 12545895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).