tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane

C24H38O2SSi2 — CID 10072271

IUPACtert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane
SMILESCc1ccc(S[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H38O2SSi2/c1-19-15-17-21(18-16-19)27-23(26-29(8,9)24(2,3)4)22(25-28(5,6)7)20-13-11-10-12-14-20/h10-18,22-23H,1-9H3/t22-,23+/m0/s1
InChIKeyFOFLIZCMENZSBX-XZOQPEGZSA-N
MW446.81 g/mol
LogP8.03
Rot. Bonds8

About tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane

tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane (PubChem CID 10072271) has the molecular formula C24H38O2SSi2 and a molecular weight of 446.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane
PubChem CID10072271
Molecular FormulaC24H38O2SSi2
Molecular Weight446.81 g/mol
Exact Mass446.21
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane
SMILESCc1ccc(S[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H38O2SSi2/c1-19-15-17-21(18-16-19)27-23(26-29(8,9)24(2,3)4)22(25-28(5,6)7)20-13-11-10-12-14-20/h10-18,22-23H,1-9H3/t22-,23+/m0/s1
InChIKeyFOFLIZCMENZSBX-XZOQPEGZSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.81
LogP ≤ 58.03
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'}

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Related Compounds

[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
[4-(Butylthio)phenyl](phenyl)methanol
CID 70791301
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
[2-(3-Fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-enyl]-dimethyl-[(2-methylpropan-2-yl)oxy]silane
CID 54252311
[(Z)-2-(3-fluorophenyl)-4-methoxy-4-methyl-3-(4-methylsulfanylphenyl)pent-2-enyl]-dimethyl-[(2-methylpropan-2-yl)oxy]silane
CID 70275690
Trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
CID 90402467
Tert-butyl-[[4-[ditert-butyl(fluoro)-lambda4-sulfanyl]phenyl]methoxy]-dimethylsilane
CID 174039863
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
Tert-butyl-dimethyl-(2-methylsulfanyl-1-phenylethoxy)silane
CID 12061430
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
CID 12641117
[2-(4-Methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane
CID 72962573
Tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
CID 73112372

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane (CID 10072271) is tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane is Cc1ccc(S[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C)c2ccccc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane?
The InChIKey is FOFLIZCMENZSBX-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H38O2SSi2/c1-19-15-17-21(18-16-19)27-23(26-29(8,9)24(2,3)4)22(25-28(5,6)7)20-13-11-10-12-14-20/h10-18,22-23H,1-9H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane?
tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane has a molecular weight of 446.81 g/mol, XLogP of 8.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane is sourced from PubChem (CID 10072271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).