2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one

C13H29OPSi — CID 71339153

IUPAC2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one
SMILESCC[Si](CC)(CC)P(C(=O)C(C)C)C(C)C
InChIInChI=1S/C13H29OPSi/c1-8-16(9-2,10-3)15(12(6)7)13(14)11(4)5/h11-12H,8-10H2,1-7H3
InChIKeyTVDWIHCACJIIKK-UHFFFAOYSA-N
MW260.43 g/mol
LogP5.06
Rot. Bonds7

About 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one

2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one (PubChem CID 71339153) has the molecular formula C13H29OPSi and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one
PubChem CID71339153
Molecular FormulaC13H29OPSi
Molecular Weight260.43 g/mol
Exact Mass260.17
IUPAC Name2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one
SMILESCC[Si](CC)(CC)P(C(=O)C(C)C)C(C)C
InChIInChI=1S/C13H29OPSi/c1-8-16(9-2,10-3)15(12(6)7)13(14)11(4)5/h11-12H,8-10H2,1-7H3
InChIKeyTVDWIHCACJIIKK-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 55.06
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-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one?
The IUPAC name of 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one (CID 71339153) is 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one is CC[Si](CC)(CC)P(C(=O)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one?
The InChIKey is TVDWIHCACJIIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OPSi/c1-8-16(9-2,10-3)15(12(6)7)13(14)11(4)5/h11-12H,8-10H2,1-7H3.
What are the key properties of 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one?
2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one has a molecular weight of 260.43 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[propan-2-yl(triethylsilyl)phosphanyl]propan-1-one is sourced from PubChem (CID 71339153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).