2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone

C16H33OPSSi — CID 14614280

IUPAC2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone
SMILESCC(C)(C)[Si](C)(C)C(=C=O)P(=S)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33OPSSi/c1-14(2,3)18(19,15(4,5)6)13(12-17)20(10,11)16(7,8)9/h1-11H3
InChIKeyKYCNNAHHQWZJJL-UHFFFAOYSA-N
MW332.57 g/mol
LogP5.83
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone

2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone (PubChem CID 14614280) has the molecular formula C16H33OPSSi and a molecular weight of 332.57 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone
PubChem CID14614280
Molecular FormulaC16H33OPSSi
Molecular Weight332.57 g/mol
Exact Mass332.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone
SMILESCC(C)(C)[Si](C)(C)C(=C=O)P(=S)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33OPSSi/c1-14(2,3)18(19,15(4,5)6)13(12-17)20(10,11)16(7,8)9/h1-11H3
InChIKeyKYCNNAHHQWZJJL-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ditert-butylphosphanyl-2-trimethylsilylethenone
CID 2784074
2-Ditert-butylphosphinothioyl-2-trimethylsilylethenone
CID 2784424
2-Ditert-butylphosphinothioyl-2-triethylsilylethenone
CID 14495382
2-Di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone
CID 134920919
2-Di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone
CID 134987619

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone (CID 14614280) is 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone is CC(C)(C)[Si](C)(C)C(=C=O)P(=S)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone?
The InChIKey is KYCNNAHHQWZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33OPSSi/c1-14(2,3)18(19,15(4,5)6)13(12-17)20(10,11)16(7,8)9/h1-11H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone?
2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone has a molecular weight of 332.57 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone is sourced from PubChem (CID 14614280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).