1-[ethyl(methoxy)phosphoryl]ethanone

C5H11O3P — CID 20532342

IUPAC1-[ethyl(methoxy)phosphoryl]ethanone
SMILESCCP(=O)(OC)C(C)=O
InChIInChI=1S/C5H11O3P/c1-4-9(7,8-3)5(2)6/h4H2,1-3H3
InChIKeyQELDDSYBUGHJMO-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.48
Rot. Bonds3

About 1-[ethyl(methoxy)phosphoryl]ethanone

1-[ethyl(methoxy)phosphoryl]ethanone (PubChem CID 20532342) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is 1-[ethyl(methoxy)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[ethyl(methoxy)phosphoryl]ethanone
PubChem CID20532342
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name1-[ethyl(methoxy)phosphoryl]ethanone
SMILESCCP(=O)(OC)C(C)=O
InChIInChI=1S/C5H11O3P/c1-4-9(7,8-3)5(2)6/h4H2,1-3H3
InChIKeyQELDDSYBUGHJMO-UHFFFAOYSA-N
XLogP1.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[ethyl(methoxy)phosphoryl]ethanone?
The IUPAC name of 1-[ethyl(methoxy)phosphoryl]ethanone (CID 20532342) is 1-[ethyl(methoxy)phosphoryl]ethanone.
What is the SMILES notation for 1-[ethyl(methoxy)phosphoryl]ethanone?
The canonical SMILES for 1-[ethyl(methoxy)phosphoryl]ethanone is CCP(=O)(OC)C(C)=O.
What is the InChIKey of 1-[ethyl(methoxy)phosphoryl]ethanone?
The InChIKey is QELDDSYBUGHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-4-9(7,8-3)5(2)6/h4H2,1-3H3.
What are the key properties of 1-[ethyl(methoxy)phosphoryl]ethanone?
1-[ethyl(methoxy)phosphoryl]ethanone has a molecular weight of 150.11 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methoxy)phosphoryl]ethanone is sourced from PubChem (CID 20532342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).