1-(diethoxyphosphorylmethoxy)-2-methoxyethane

C8H19O5P — CID 12606851

IUPAC1-(diethoxyphosphorylmethoxy)-2-methoxyethane
SMILESCCOP(=O)(COCCOC)OCC
InChIInChI=1S/C8H19O5P/c1-4-12-14(9,13-5-2)8-11-7-6-10-3/h4-8H2,1-3H3
InChIKeyXVYPZYKHYVHJHO-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.87
Rot. Bonds9

About 1-(diethoxyphosphorylmethoxy)-2-methoxyethane

1-(diethoxyphosphorylmethoxy)-2-methoxyethane (PubChem CID 12606851) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethoxy)-2-methoxyethane.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethoxy)-2-methoxyethane
PubChem CID12606851
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name1-(diethoxyphosphorylmethoxy)-2-methoxyethane
SMILESCCOP(=O)(COCCOC)OCC
InChIInChI=1S/C8H19O5P/c1-4-12-14(9,13-5-2)8-11-7-6-10-3/h4-8H2,1-3H3
InChIKeyXVYPZYKHYVHJHO-UHFFFAOYSA-N
XLogP1.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethoxy)-2-methoxyethane?
The IUPAC name of 1-(diethoxyphosphorylmethoxy)-2-methoxyethane (CID 12606851) is 1-(diethoxyphosphorylmethoxy)-2-methoxyethane.
What is the SMILES notation for 1-(diethoxyphosphorylmethoxy)-2-methoxyethane?
The canonical SMILES for 1-(diethoxyphosphorylmethoxy)-2-methoxyethane is CCOP(=O)(COCCOC)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethoxy)-2-methoxyethane?
The InChIKey is XVYPZYKHYVHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-4-12-14(9,13-5-2)8-11-7-6-10-3/h4-8H2,1-3H3.
What are the key properties of 1-(diethoxyphosphorylmethoxy)-2-methoxyethane?
1-(diethoxyphosphorylmethoxy)-2-methoxyethane has a molecular weight of 226.21 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethoxy)-2-methoxyethane is sourced from PubChem (CID 12606851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).