1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one

C7H15O3P — CID 2753978

IUPAC1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one
SMILESCOP(C)(=O)C(=O)C(C)(C)C
InChIInChI=1S/C7H15O3P/c1-7(2,3)6(8)11(5,9)10-4/h1-5H3
InChIKeyAPUXXENPAAJGBZ-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.11
Rot. Bonds2

About 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one

1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one (PubChem CID 2753978) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one
PubChem CID2753978
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one
SMILESCOP(C)(=O)C(=O)C(C)(C)C
InChIInChI=1S/C7H15O3P/c1-7(2,3)6(8)11(5,9)10-4/h1-5H3
InChIKeyAPUXXENPAAJGBZ-UHFFFAOYSA-N
XLogP2.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.11
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-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one (CID 2753978) is 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one is COP(C)(=O)C(=O)C(C)(C)C.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one?
The InChIKey is APUXXENPAAJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-7(2,3)6(8)11(5,9)10-4/h1-5H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one?
1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one has a molecular weight of 178.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 2753978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).