tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane

C22H42O2SSi2 — CID 10094000

IUPACtert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane
SMILESCc1ccc(S[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H42O2SSi2/c1-17-13-15-19(16-14-17)25-20(24-27(11,12)22(6,7)8)18(2)23-26(9,10)21(3,4)5/h13-16,18,20H,1-12H3/t18-,20-/m0/s1
InChIKeyXUWWMCWITSNHRW-ICSRJNTNSA-N
MW426.82 g/mol
LogP7.85
Rot. Bonds7

About tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane

tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane (PubChem CID 10094000) has the molecular formula C22H42O2SSi2 and a molecular weight of 426.82 g/mol. Its IUPAC name is tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane
PubChem CID10094000
Molecular FormulaC22H42O2SSi2
Molecular Weight426.82 g/mol
Exact Mass426.24
IUPAC Nametert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane
SMILESCc1ccc(S[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H42O2SSi2/c1-17-13-15-19(16-14-17)25-20(24-27(11,12)22(6,7)8)18(2)23-26(9,10)21(3,4)5/h13-16,18,20H,1-12H3/t18-,20-/m0/s1
InChIKeyXUWWMCWITSNHRW-ICSRJNTNSA-N
XLogP7.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.82
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane (CID 10094000) is tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane is Cc1ccc(S[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane?
The InChIKey is XUWWMCWITSNHRW-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H42O2SSi2/c1-17-13-15-19(16-14-17)25-20(24-27(11,12)22(6,7)8)18(2)23-26(9,10)21(3,4)5/h13-16,18,20H,1-12H3/t18-,20-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane has a molecular weight of 426.82 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanylpropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10094000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).