1-[ethyl(propyl)phosphoryl]ethanone

C7H15O2P — CID 87845199

IUPAC1-[ethyl(propyl)phosphoryl]ethanone
SMILESCCCP(=O)(CC)C(C)=O
InChIInChI=1S/C7H15O2P/c1-4-6-10(9,5-2)7(3)8/h4-6H2,1-3H3
InChIKeyPJCIFDWHSSOVJO-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.33
Rot. Bonds4

About 1-[ethyl(propyl)phosphoryl]ethanone

1-[ethyl(propyl)phosphoryl]ethanone (PubChem CID 87845199) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is 1-[ethyl(propyl)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[ethyl(propyl)phosphoryl]ethanone
PubChem CID87845199
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Name1-[ethyl(propyl)phosphoryl]ethanone
SMILESCCCP(=O)(CC)C(C)=O
InChIInChI=1S/C7H15O2P/c1-4-6-10(9,5-2)7(3)8/h4-6H2,1-3H3
InChIKeyPJCIFDWHSSOVJO-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[ethyl(propyl)phosphoryl]ethanone 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-[ethyl(propyl)phosphoryl]ethanone?
The IUPAC name of 1-[ethyl(propyl)phosphoryl]ethanone (CID 87845199) is 1-[ethyl(propyl)phosphoryl]ethanone.
What is the SMILES notation for 1-[ethyl(propyl)phosphoryl]ethanone?
The canonical SMILES for 1-[ethyl(propyl)phosphoryl]ethanone is CCCP(=O)(CC)C(C)=O.
What is the InChIKey of 1-[ethyl(propyl)phosphoryl]ethanone?
The InChIKey is PJCIFDWHSSOVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-4-6-10(9,5-2)7(3)8/h4-6H2,1-3H3.
What are the key properties of 1-[ethyl(propyl)phosphoryl]ethanone?
1-[ethyl(propyl)phosphoryl]ethanone has a molecular weight of 162.17 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)phosphoryl]ethanone is sourced from PubChem (CID 87845199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).