1-diethoxyphosphoryl-2,2-dimethylpropan-1-one

C9H19O4P — CID 4581206

IUPAC1-diethoxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCCOP(=O)(OCC)C(=O)C(C)(C)C
InChIInChI=1S/C9H19O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h6-7H2,1-5H3
InChIKeyRPMLFEYJLCDKFM-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.83
Rot. Bonds5

About 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one

1-diethoxyphosphoryl-2,2-dimethylpropan-1-one (PubChem CID 4581206) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2,2-dimethylpropan-1-one
PubChem CID4581206
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name1-diethoxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCCOP(=O)(OCC)C(=O)C(C)(C)C
InChIInChI=1S/C9H19O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h6-7H2,1-5H3
InChIKeyRPMLFEYJLCDKFM-UHFFFAOYSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diethoxyphosphoryl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one (CID 4581206) is 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one is CCOP(=O)(OCC)C(=O)C(C)(C)C.
What is the InChIKey of 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one?
The InChIKey is RPMLFEYJLCDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h6-7H2,1-5H3.
What are the key properties of 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one?
1-diethoxyphosphoryl-2,2-dimethylpropan-1-one has a molecular weight of 222.22 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 4581206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).