1-[methyl(propan-2-yl)phosphoryl]ethanone

C6H13O2P — CID 89348933

IUPAC1-[methyl(propan-2-yl)phosphoryl]ethanone
SMILESCC(=O)P(C)(=O)C(C)C
InChIInChI=1S/C6H13O2P/c1-5(2)9(4,8)6(3)7/h5H,1-4H3
InChIKeyITOUFIYLHAPEKR-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.93
Rot. Bonds2

About 1-[methyl(propan-2-yl)phosphoryl]ethanone

1-[methyl(propan-2-yl)phosphoryl]ethanone (PubChem CID 89348933) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-[methyl(propan-2-yl)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[methyl(propan-2-yl)phosphoryl]ethanone
PubChem CID89348933
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name1-[methyl(propan-2-yl)phosphoryl]ethanone
SMILESCC(=O)P(C)(=O)C(C)C
InChIInChI=1S/C6H13O2P/c1-5(2)9(4,8)6(3)7/h5H,1-4H3
InChIKeyITOUFIYLHAPEKR-UHFFFAOYSA-N
XLogP1.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.93
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-[methyl(propan-2-yl)phosphoryl]ethanone?
The IUPAC name of 1-[methyl(propan-2-yl)phosphoryl]ethanone (CID 89348933) is 1-[methyl(propan-2-yl)phosphoryl]ethanone.
What is the SMILES notation for 1-[methyl(propan-2-yl)phosphoryl]ethanone?
The canonical SMILES for 1-[methyl(propan-2-yl)phosphoryl]ethanone is CC(=O)P(C)(=O)C(C)C.
What is the InChIKey of 1-[methyl(propan-2-yl)phosphoryl]ethanone?
The InChIKey is ITOUFIYLHAPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-5(2)9(4,8)6(3)7/h5H,1-4H3.
What are the key properties of 1-[methyl(propan-2-yl)phosphoryl]ethanone?
1-[methyl(propan-2-yl)phosphoryl]ethanone has a molecular weight of 148.14 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propan-2-yl)phosphoryl]ethanone is sourced from PubChem (CID 89348933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).