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

C21H28O2SSi — CID 11610429

IUPAC[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1SC[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-20-17(14-22)16-24-20/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20+/m0/s1
InChIKeyAYALSQPHTABIPF-FXAWDEMLSA-N
MW372.61 g/mol
LogP3.29
Rot. Bonds6

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

[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol (PubChem CID 11610429) has the molecular formula C21H28O2SSi and a molecular weight of 372.61 g/mol. Its IUPAC name is [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
PubChem CID11610429
Molecular FormulaC21H28O2SSi
Molecular Weight372.61 g/mol
Exact Mass372.16
IUPAC Name[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1SC[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-20-17(14-22)16-24-20/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20+/m0/s1
InChIKeyAYALSQPHTABIPF-FXAWDEMLSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
(S)-4-(tert-butyldiphenylsilyloxy)-2-methylbutan-1-ol
CID 10712362
(2R)-4-{[tert-butyl(diphenyl)silyl]oxy}-2-methylbutan-1-ol
CID 11210066
tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
CID 11501276
[(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11588825
tert-butyl-[[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methoxy]-diphenylsilane
CID 11592505
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191432
tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191434
[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15191436
S-ethyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanethioate
CID 16757124
(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)butan-2-ol
CID 134936237

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol?
The IUPAC name of [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol (CID 11610429) is [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol?
The canonical SMILES for [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol is CC(C)(C)[Si](OC[C@H]1SC[C@@H]1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol?
The InChIKey is AYALSQPHTABIPF-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H28O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-15-20-17(14-22)16-24-20/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol?
[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol has a molecular weight of 372.61 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol is sourced from PubChem (CID 11610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).