tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane

C12H21F3O2SSi — CID 5461844

IUPACtri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane
SMILESCC(C)[Si](C#CS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C12H21F3O2SSi/c1-9(2)19(10(3)4,11(5)6)8-7-18(16,17)12(13,14)15/h9-11H,1-6H3
InChIKeyROAJHHMTMBSXBG-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.10
Rot. Bonds3

About tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane

tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane (PubChem CID 5461844) has the molecular formula C12H21F3O2SSi and a molecular weight of 314.45 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane
PubChem CID5461844
Molecular FormulaC12H21F3O2SSi
Molecular Weight314.45 g/mol
Exact Mass314.10
IUPAC Nametri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane
SMILESCC(C)[Si](C#CS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C12H21F3O2SSi/c1-9(2)19(10(3)4,11(5)6)8-7-18(16,17)12(13,14)15/h9-11H,1-6H3
InChIKeyROAJHHMTMBSXBG-UHFFFAOYSA-N
XLogP4.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane (CID 5461844) is tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane is CC(C)[Si](C#CS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane?
The InChIKey is ROAJHHMTMBSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2SSi/c1-9(2)19(10(3)4,11(5)6)8-7-18(16,17)12(13,14)15/h9-11H,1-6H3.
What are the key properties of tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane?
tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane has a molecular weight of 314.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-(trifluoromethylsulfonyl)ethynyl]silane is sourced from PubChem (CID 5461844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).