[(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane

C27H34O3SSi — CID 10837955

IUPAC[(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane
SMILESC[C@@H](CCS(=O)(=O)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H34O3SSi/c1-23(20-21-31(28,29)24-14-8-5-9-15-24)22-30-32(27(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/t23-/m0/s1
InChIKeyAKXYEOMLFIXLDE-QHCPKHFHSA-N
MW466.72 g/mol
LogP5.06
Rot. Bonds9

About [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane

[(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane (PubChem CID 10837955) has the molecular formula C27H34O3SSi and a molecular weight of 466.72 g/mol. Its IUPAC name is [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane
PubChem CID10837955
Molecular FormulaC27H34O3SSi
Molecular Weight466.72 g/mol
Exact Mass466.20
IUPAC Name[(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane
SMILESC[C@@H](CCS(=O)(=O)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H34O3SSi/c1-23(20-21-31(28,29)24-14-8-5-9-15-24)22-30-32(27(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/t23-/m0/s1
InChIKeyAKXYEOMLFIXLDE-QHCPKHFHSA-N
XLogP5.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.72
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane (CID 10837955) is [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane is C[C@@H](CCS(=O)(=O)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane?
The InChIKey is AKXYEOMLFIXLDE-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H34O3SSi/c1-23(20-21-31(28,29)24-14-8-5-9-15-24)22-30-32(27(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/t23-/m0/s1.
What are the key properties of [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane?
[(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane has a molecular weight of 466.72 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(benzenesulfonyl)-2-methylbutoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10837955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).