3-tert-butylsulfonylpropoxy(trimethyl)silane

C10H24O3SSi — CID 12020598

IUPAC3-tert-butylsulfonylpropoxy(trimethyl)silane
SMILESCC(C)(C)S(=O)(=O)CCCO[Si](C)(C)C
InChIInChI=1S/C10H24O3SSi/c1-10(2,3)14(11,12)9-7-8-13-15(4,5)6/h7-9H2,1-6H3
InChIKeyXCGOMJIMKPYTHT-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.44
Rot. Bonds5

About 3-tert-butylsulfonylpropoxy(trimethyl)silane

3-tert-butylsulfonylpropoxy(trimethyl)silane (PubChem CID 12020598) has the molecular formula C10H24O3SSi and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-tert-butylsulfonylpropoxy(trimethyl)silane.

Molecular Properties

Compound Name3-tert-butylsulfonylpropoxy(trimethyl)silane
PubChem CID12020598
Molecular FormulaC10H24O3SSi
Molecular Weight252.45 g/mol
Exact Mass252.12
IUPAC Name3-tert-butylsulfonylpropoxy(trimethyl)silane
SMILESCC(C)(C)S(=O)(=O)CCCO[Si](C)(C)C
InChIInChI=1S/C10H24O3SSi/c1-10(2,3)14(11,12)9-7-8-13-15(4,5)6/h7-9H2,1-6H3
InChIKeyXCGOMJIMKPYTHT-UHFFFAOYSA-N
XLogP2.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfonylpropoxy(trimethyl)silane?
The IUPAC name of 3-tert-butylsulfonylpropoxy(trimethyl)silane (CID 12020598) is 3-tert-butylsulfonylpropoxy(trimethyl)silane.
What is the SMILES notation for 3-tert-butylsulfonylpropoxy(trimethyl)silane?
The canonical SMILES for 3-tert-butylsulfonylpropoxy(trimethyl)silane is CC(C)(C)S(=O)(=O)CCCO[Si](C)(C)C.
What is the InChIKey of 3-tert-butylsulfonylpropoxy(trimethyl)silane?
The InChIKey is XCGOMJIMKPYTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3SSi/c1-10(2,3)14(11,12)9-7-8-13-15(4,5)6/h7-9H2,1-6H3.
What are the key properties of 3-tert-butylsulfonylpropoxy(trimethyl)silane?
3-tert-butylsulfonylpropoxy(trimethyl)silane has a molecular weight of 252.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfonylpropoxy(trimethyl)silane is sourced from PubChem (CID 12020598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).