tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane

C28H34OSSi — CID 140536386

IUPACtert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
SMILESC[C@@H]1O[C@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1Sc1ccccc1
InChIInChI=1S/C28H34OSSi/c1-22-27(30-24-14-8-5-9-15-24)20-23(29-22)21-31(28(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23,27H,20-21H2,1-4H3/t22-,23-,27?/m0/s1
InChIKeyBORDDUMRVJRIMW-ZDNIZFJCSA-N
MW446.73 g/mol
LogP6.39
Rot. Bonds6

About tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane

tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane (PubChem CID 140536386) has the molecular formula C28H34OSSi and a molecular weight of 446.73 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
PubChem CID140536386
Molecular FormulaC28H34OSSi
Molecular Weight446.73 g/mol
Exact Mass446.21
IUPAC Nametert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
SMILESC[C@@H]1O[C@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1Sc1ccccc1
InChIInChI=1S/C28H34OSSi/c1-22-27(30-24-14-8-5-9-15-24)20-23(29-22)21-31(28(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23,27H,20-21H2,1-4H3/t22-,23-,27?/m0/s1
InChIKeyBORDDUMRVJRIMW-ZDNIZFJCSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-(4-fluorophenyl)sulfanylthiolan-2-yl]methyl acetate
CID 153333214
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
4,4-Bis(phenylsulfanyl)butoxy-tert-butyl-dimethylsilane
CID 25016402
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane
CID 134878359
Tert-butyl-[4-(4-fluorophenyl)sulfanylbutoxy]-diphenylsilane
CID 10622899
1,4-Bis(phenylsulfanyl)butan-2-yloxy-dimethyl-phenylsilane
CID 44470529
Trimethyl-[2-methylsulfanyl-5-[methylsulfanyl(triphenylsilyl)methyl]oxolan-2-yl]silane
CID 44470813
tert-butyl-[3-[(2S,3R,5S)-2,5-dimethyl-3-phenylsulfanyloxolan-2-yl]propoxy]-diphenylsilane
CID 100947757
[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 56628482
CID 57693497
CID 57693497
tert-butyl-[[(2S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
CID 70795385

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane (CID 140536386) is tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane is C[C@@H]1O[C@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1Sc1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane?
The InChIKey is BORDDUMRVJRIMW-ZDNIZFJCSA-N. The full InChI is InChI=1S/C28H34OSSi/c1-22-27(30-24-14-8-5-9-15-24)20-23(29-22)21-31(28(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23,27H,20-21H2,1-4H3/t22-,23-,27?/m0/s1.
What are the key properties of tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane?
tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane has a molecular weight of 446.73 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane is sourced from PubChem (CID 140536386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).