1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one

C7H15O4P — CID 2752002

IUPAC1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCOP(=O)(OC)C(=O)C(C)(C)C
InChIInChI=1S/C7H15O4P/c1-7(2,3)6(8)12(9,10-4)11-5/h1-5H3
InChIKeyILVIYRLLZTXZQL-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.05
Rot. Bonds3

About 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one

1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one (PubChem CID 2752002) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one
PubChem CID2752002
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one
SMILESCOP(=O)(OC)C(=O)C(C)(C)C
InChIInChI=1S/C7H15O4P/c1-7(2,3)6(8)12(9,10-4)11-5/h1-5H3
InChIKeyILVIYRLLZTXZQL-UHFFFAOYSA-N
XLogP2.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl acetylphosphonate
CID 2785315
Lithium methoxy(propanoyl)phosphinate
CID 90667333
Lithium butanoyl(methoxy)phosphinate
CID 90667334
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Propionylphosphonic Acid Diethyl Ester
CID 4410891
Dimethyl (2-methyl-1-oxopropyl)phosphonate
CID 12633718
1-Dimethoxyphosphoryl-3-methylbutan-1-one
CID 15315722
Dimethyl butanoylphosphonate
CID 15685100
Methoxy(propanoyl)phosphinic acid
CID 10154259
Butanoyl(methoxy)phosphinic acid
CID 56614372
Phosphonic acid, (2,2-dimethyl-1-oxopropyl)-, diethyl ester
CID 4581206
1-[Chloro(methoxy)phosphoryl]-2-methylpropan-1-one
CID 134993422

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one (CID 2752002) is 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one is COP(=O)(OC)C(=O)C(C)(C)C.
What is the InChIKey of 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one?
The InChIKey is ILVIYRLLZTXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-7(2,3)6(8)12(9,10-4)11-5/h1-5H3.
What are the key properties of 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one?
1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one has a molecular weight of 194.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 2752002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).