1-dimethoxyphosphoryl-2-methoxyethanone

C5H11O5P — CID 13440321

IUPAC1-dimethoxyphosphoryl-2-methoxyethanone
SMILESCOCC(=O)P(=O)(OC)OC
InChIInChI=1S/C5H11O5P/c1-8-4-5(6)11(7,9-2)10-3/h4H2,1-3H3
InChIKeyYQNZKOHHKWGMRC-UHFFFAOYSA-N
MW182.11 g/mol
LogP0.65
Rot. Bonds5

About 1-dimethoxyphosphoryl-2-methoxyethanone

1-dimethoxyphosphoryl-2-methoxyethanone (PubChem CID 13440321) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-methoxyethanone.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2-methoxyethanone
PubChem CID13440321
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Name1-dimethoxyphosphoryl-2-methoxyethanone
SMILESCOCC(=O)P(=O)(OC)OC
InChIInChI=1S/C5H11O5P/c1-8-4-5(6)11(7,9-2)10-3/h4H2,1-3H3
InChIKeyYQNZKOHHKWGMRC-UHFFFAOYSA-N
XLogP0.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2-methoxyethanone?
The IUPAC name of 1-dimethoxyphosphoryl-2-methoxyethanone (CID 13440321) is 1-dimethoxyphosphoryl-2-methoxyethanone.
What is the SMILES notation for 1-dimethoxyphosphoryl-2-methoxyethanone?
The canonical SMILES for 1-dimethoxyphosphoryl-2-methoxyethanone is COCC(=O)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-2-methoxyethanone?
The InChIKey is YQNZKOHHKWGMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-8-4-5(6)11(7,9-2)10-3/h4H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-2-methoxyethanone?
1-dimethoxyphosphoryl-2-methoxyethanone has a molecular weight of 182.11 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2-methoxyethanone is sourced from PubChem (CID 13440321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).