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

C9H21OPSSi — CID 134877347

IUPAC2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one
SMILESCSP(C(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C9H21OPSSi/c1-9(2,3)8(10)11(12-4)13(5,6)7/h1-7H3
InChIKeyAGFVOVOUXHOZNV-UHFFFAOYSA-N
MW236.39 g/mol
LogP4.15
Rot. Bonds3

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

2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one (PubChem CID 134877347) has the molecular formula C9H21OPSSi and a molecular weight of 236.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one
PubChem CID134877347
Molecular FormulaC9H21OPSSi
Molecular Weight236.39 g/mol
Exact Mass236.08
IUPAC Name2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one
SMILESCSP(C(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C9H21OPSSi/c1-9(2,3)8(10)11(12-4)13(5,6)7/h1-7H3
InChIKeyAGFVOVOUXHOZNV-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one (CID 134877347) is 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one is CSP(C(=O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one?
The InChIKey is AGFVOVOUXHOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21OPSSi/c1-9(2,3)8(10)11(12-4)13(5,6)7/h1-7H3.
What are the key properties of 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one?
2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one has a molecular weight of 236.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[methylsulfanyl(trimethylsilyl)phosphanyl]propan-1-one is sourced from PubChem (CID 134877347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).