1-[acetyl(methyl)phosphanyl]ethanone

C5H9O2P — CID 23414375

IUPAC1-[acetyl(methyl)phosphanyl]ethanone
SMILESCC(=O)P(C)C(C)=O
InChIInChI=1S/C5H9O2P/c1-4(6)8(3)5(2)7/h1-3H3
InChIKeyJZRUXJUYGWXNGW-UHFFFAOYSA-N
MW132.10 g/mol
LogP1.19
Rot. Bonds2

About 1-[acetyl(methyl)phosphanyl]ethanone

1-[acetyl(methyl)phosphanyl]ethanone (PubChem CID 23414375) has the molecular formula C5H9O2P and a molecular weight of 132.10 g/mol. Its IUPAC name is 1-[acetyl(methyl)phosphanyl]ethanone.

Molecular Properties

Compound Name1-[acetyl(methyl)phosphanyl]ethanone
PubChem CID23414375
Molecular FormulaC5H9O2P
Molecular Weight132.10 g/mol
Exact Mass132.03
IUPAC Name1-[acetyl(methyl)phosphanyl]ethanone
SMILESCC(=O)P(C)C(C)=O
InChIInChI=1S/C5H9O2P/c1-4(6)8(3)5(2)7/h1-3H3
InChIKeyJZRUXJUYGWXNGW-UHFFFAOYSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.10
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[acetyl(methyl)phosphanyl]ethanone?
The IUPAC name of 1-[acetyl(methyl)phosphanyl]ethanone (CID 23414375) is 1-[acetyl(methyl)phosphanyl]ethanone.
What is the SMILES notation for 1-[acetyl(methyl)phosphanyl]ethanone?
The canonical SMILES for 1-[acetyl(methyl)phosphanyl]ethanone is CC(=O)P(C)C(C)=O.
What is the InChIKey of 1-[acetyl(methyl)phosphanyl]ethanone?
The InChIKey is JZRUXJUYGWXNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2P/c1-4(6)8(3)5(2)7/h1-3H3.
What are the key properties of 1-[acetyl(methyl)phosphanyl]ethanone?
1-[acetyl(methyl)phosphanyl]ethanone has a molecular weight of 132.10 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)phosphanyl]ethanone is sourced from PubChem (CID 23414375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).