2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone

C14H29OPSSi — CID 134920919

IUPAC2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone
SMILESCC[Si](CC)(CC)C(=C=O)P(=S)(C(C)C)C(C)C
InChIInChI=1S/C14H29OPSSi/c1-8-18(9-2,10-3)14(11-15)16(17,12(4)5)13(6)7/h12-13H,8-10H2,1-7H3
InChIKeyQTEXWPHKRSDPOD-UHFFFAOYSA-N
MW304.51 g/mol
LogP5.05
Rot. Bonds7

About 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone

2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone (PubChem CID 134920919) has the molecular formula C14H29OPSSi and a molecular weight of 304.51 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone
PubChem CID134920919
Molecular FormulaC14H29OPSSi
Molecular Weight304.51 g/mol
Exact Mass304.14
IUPAC Name2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone
SMILESCC[Si](CC)(CC)C(=C=O)P(=S)(C(C)C)C(C)C
InChIInChI=1S/C14H29OPSSi/c1-8-18(9-2,10-3)14(11-15)16(17,12(4)5)13(6)7/h12-13H,8-10H2,1-7H3
InChIKeyQTEXWPHKRSDPOD-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.05
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-[Tert-butyl(dimethyl)silyl]-2-ditert-butylphosphinothioylethenone
CID 14614280
2-Di(propan-2-yl)phosphanyl-2-trimethylsilylethenone
CID 14667412
2-Di(propan-2-yl)phosphinothioyl-2-trimethylsilylethenone
CID 134987619

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone?
The IUPAC name of 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone (CID 134920919) is 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone.
What is the SMILES notation for 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone?
The canonical SMILES for 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone is CC[Si](CC)(CC)C(=C=O)P(=S)(C(C)C)C(C)C.
What is the InChIKey of 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone?
The InChIKey is QTEXWPHKRSDPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29OPSSi/c1-8-18(9-2,10-3)14(11-15)16(17,12(4)5)13(6)7/h12-13H,8-10H2,1-7H3.
What are the key properties of 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone?
2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone has a molecular weight of 304.51 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphinothioyl-2-triethylsilylethenone is sourced from PubChem (CID 134920919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).