tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane

C37H46O2SSi2 — CID 11592505

IUPACtert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CS[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H46O2SSi2/c1-36(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)38-27-30-29-40-35(30)28-39-42(37(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35H,27-29H2,1-6H3/t30-,35+/m0/s1
InChIKeyLSPJROZFBYHJEY-LWQYYNMXSA-N
MW611.01 g/mol
LogP6.87
Rot. Bonds10

About tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane (PubChem CID 11592505) has the molecular formula C37H46O2SSi2 and a molecular weight of 611.01 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane
PubChem CID11592505
Molecular FormulaC37H46O2SSi2
Molecular Weight611.01 g/mol
Exact Mass610.28
IUPAC Nametert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CS[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H46O2SSi2/c1-36(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)38-27-30-29-40-35(30)28-39-42(37(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35H,27-29H2,1-6H3/t30-,35+/m0/s1
InChIKeyLSPJROZFBYHJEY-LWQYYNMXSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.01
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorothiolan-2-yl]methoxy]-diphenylsilane
CID 89975768
[(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11588825
[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11610429
[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15191436
tert-butyl-[(2Z)-2-[butylsulfanyl(triphenylsilyl)methylidene]-3-methylcyclobutyl]oxy-dimethylsilane
CID 134847832
S-[(5S,9E)-1-[tert-butyl(diphenyl)silyl]oxy-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylundeca-6,7,9-trien-5-yl] ethanethioate
CID 134864716
tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-oxothietan-3-yl]methoxy]-diphenylsilane
CID 134882017
Tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane
CID 135064803
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(methylsulfanyl)cyclobutyl]methoxy]-diphenylsilane
CID 14507375
tert-butyl-[[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(methylsulfanyl)cyclobutyl]methoxy]-diphenylsilane
CID 14507376
Butyl-[2-[2-[butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 53682795
Tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane (CID 11592505) is tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H]1CS[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane?
The InChIKey is LSPJROZFBYHJEY-LWQYYNMXSA-N. The full InChI is InChI=1S/C37H46O2SSi2/c1-36(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)38-27-30-29-40-35(30)28-39-42(37(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35H,27-29H2,1-6H3/t30-,35+/m0/s1.
What are the key properties of tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane has a molecular weight of 611.01 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11592505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).