(E)-1-dimethoxyphosphoryl-2-methoxyethene

C5H11O4P — CID 24974578

IUPAC(E)-1-dimethoxyphosphoryl-2-methoxyethene
SMILESCO/C=C/P(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-7-4-5-10(6,8-2)9-3/h4-5H,1-3H3/b5-4+
InChIKeyQYKMMQBYDLGKBN-SNAWJCMRSA-N
MW166.11 g/mol
LogP1.59
Rot. Bonds4

About (E)-1-dimethoxyphosphoryl-2-methoxyethene

(E)-1-dimethoxyphosphoryl-2-methoxyethene (PubChem CID 24974578) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-2-methoxyethene.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-2-methoxyethene
PubChem CID24974578
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name(E)-1-dimethoxyphosphoryl-2-methoxyethene
SMILESCO/C=C/P(=O)(OC)OC
InChIInChI=1S/C5H11O4P/c1-7-4-5-10(6,8-2)9-3/h4-5H,1-3H3/b5-4+
InChIKeyQYKMMQBYDLGKBN-SNAWJCMRSA-N
XLogP1.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.59
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 (E)-1-dimethoxyphosphoryl-2-methoxyethene 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 (E)-1-dimethoxyphosphoryl-2-methoxyethene?
The IUPAC name of (E)-1-dimethoxyphosphoryl-2-methoxyethene (CID 24974578) is (E)-1-dimethoxyphosphoryl-2-methoxyethene.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-2-methoxyethene?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-2-methoxyethene is CO/C=C/P(=O)(OC)OC.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-2-methoxyethene?
The InChIKey is QYKMMQBYDLGKBN-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11O4P/c1-7-4-5-10(6,8-2)9-3/h4-5H,1-3H3/b5-4+.
What are the key properties of (E)-1-dimethoxyphosphoryl-2-methoxyethene?
(E)-1-dimethoxyphosphoryl-2-methoxyethene has a molecular weight of 166.11 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-2-methoxyethene is sourced from PubChem (CID 24974578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).