2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one

C9H21OPSi — CID 23414946

IUPAC2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one
SMILESCP(C(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C9H21OPSi/c1-9(2,3)8(10)11(4)12(5,6)7/h1-7H3
InChIKeyCUCNGUBZEDXWCA-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.51
Rot. Bonds2

About 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one

2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one (PubChem CID 23414946) has the molecular formula C9H21OPSi and a molecular weight of 204.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one
PubChem CID23414946
Molecular FormulaC9H21OPSi
Molecular Weight204.33 g/mol
Exact Mass204.11
IUPAC Name2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one
SMILESCP(C(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C9H21OPSi/c1-9(2,3)8(10)11(4)12(5,6)7/h1-7H3
InChIKeyCUCNGUBZEDXWCA-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one (CID 23414946) is 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one is CP(C(=O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one?
The InChIKey is CUCNGUBZEDXWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21OPSi/c1-9(2,3)8(10)11(4)12(5,6)7/h1-7H3.
What are the key properties of 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one?
2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one has a molecular weight of 204.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[methyl(trimethylsilyl)phosphanyl]propan-1-one is sourced from PubChem (CID 23414946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).