tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane

C25H48O3SSi2 — CID 57206350

IUPACtert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane
SMILESCc1ccc([S@](=O)C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H48O3SSi2/c1-21-15-17-23(18-16-21)29(26)20-22(28-31(10,11)25(5,6)7)14-12-13-19-27-30(8,9)24(2,3)4/h15-18,22H,12-14,19-20H2,1-11H3/t22-,29+/m0/s1
InChIKeyGWCXEGBVKZAGKM-PZGXJGMVSA-N
MW484.90 g/mol
LogP7.69
Rot. Bonds11

About tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane (PubChem CID 57206350) has the molecular formula C25H48O3SSi2 and a molecular weight of 484.90 g/mol. Its IUPAC name is tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane
PubChem CID57206350
Molecular FormulaC25H48O3SSi2
Molecular Weight484.90 g/mol
Exact Mass484.29
IUPAC Nametert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane
SMILESCc1ccc([S@](=O)C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C25H48O3SSi2/c1-21-15-17-23(18-16-21)29(26)20-22(28-31(10,11)25(5,6)7)14-12-13-19-27-30(8,9)24(2,3)4/h15-18,22H,12-14,19-20H2,1-11H3/t22-,29+/m0/s1
InChIKeyGWCXEGBVKZAGKM-PZGXJGMVSA-N
XLogP7.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.90
LogP ≤ 57.69
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 tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane (CID 57206350) is tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane is Cc1ccc([S@](=O)C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane?
The InChIKey is GWCXEGBVKZAGKM-PZGXJGMVSA-N. The full InChI is InChI=1S/C25H48O3SSi2/c1-21-15-17-23(18-16-21)29(26)20-22(28-31(10,11)25(5,6)7)14-12-13-19-27-30(8,9)24(2,3)4/h15-18,22H,12-14,19-20H2,1-11H3/t22-,29+/m0/s1.
What are the key properties of tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane has a molecular weight of 484.90 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 57206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).