1-dimethoxyphosphoryl-2-ethoxyethene

C6H13O4P — CID 85401081

IUPAC1-dimethoxyphosphoryl-2-ethoxyethene
SMILESCCOC=CP(=O)(OC)OC
InChIInChI=1S/C6H13O4P/c1-4-10-5-6-11(7,8-2)9-3/h5-6H,4H2,1-3H3
InChIKeyWTYGMOILXZACFI-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.98
Rot. Bonds5

About 1-dimethoxyphosphoryl-2-ethoxyethene

1-dimethoxyphosphoryl-2-ethoxyethene (PubChem CID 85401081) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-ethoxyethene.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2-ethoxyethene
PubChem CID85401081
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name1-dimethoxyphosphoryl-2-ethoxyethene
SMILESCCOC=CP(=O)(OC)OC
InChIInChI=1S/C6H13O4P/c1-4-10-5-6-11(7,8-2)9-3/h5-6H,4H2,1-3H3
InChIKeyWTYGMOILXZACFI-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-dimethoxyphosphoryl-2-ethoxyethene 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-dimethoxyphosphoryl-2-ethoxyethene?
The IUPAC name of 1-dimethoxyphosphoryl-2-ethoxyethene (CID 85401081) is 1-dimethoxyphosphoryl-2-ethoxyethene.
What is the SMILES notation for 1-dimethoxyphosphoryl-2-ethoxyethene?
The canonical SMILES for 1-dimethoxyphosphoryl-2-ethoxyethene is CCOC=CP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-2-ethoxyethene?
The InChIKey is WTYGMOILXZACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-4-10-5-6-11(7,8-2)9-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-2-ethoxyethene?
1-dimethoxyphosphoryl-2-ethoxyethene has a molecular weight of 180.14 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2-ethoxyethene is sourced from PubChem (CID 85401081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).