tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane

C28H32F2O2SSi — CID 10767652

IUPACtert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1SCC(F)(F)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32F2O2SSi/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)32-20-25-26(28(29,30)21-33-25)31-19-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3/t25-,26-/m1/s1
InChIKeyUUEZOLFXABVAKS-CLJLJLNGSA-N
MW498.71 g/mol
LogP5.90
Rot. Bonds8

About tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane (PubChem CID 10767652) has the molecular formula C28H32F2O2SSi and a molecular weight of 498.71 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
PubChem CID10767652
Molecular FormulaC28H32F2O2SSi
Molecular Weight498.71 g/mol
Exact Mass498.19
IUPAC Nametert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1SCC(F)(F)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32F2O2SSi/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)32-20-25-26(28(29,30)21-33-25)31-19-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3/t25-,26-/m1/s1
InChIKeyUUEZOLFXABVAKS-CLJLJLNGSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 55.90
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

[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-phenylmethoxythiolan-2-yl] acetate
CID 10554417
2,3,5-tri-O-benzyl-1,4-dideoxy-1,4-epithio-D-arabinitol
CID 10645810
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 69115861
tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
CID 10767090
Tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane
CID 138975568
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
CID 10528669
benzyl 3,5-di-O-benzyl-2-deoxy-1,4-dithio-d-erythro-pentofuranoside
CID 11026498
Tert-butyl-[3-[(3,4-difluorophenyl)methoxy]hex-5-enoxy]-diphenylsilane
CID 57827298
(2R,3S,4S)-4-fluoro-3-[(4-methylphenyl)methoxy]-2-[(4-methylphenyl)methoxymethyl]thiolane
CID 89975762
(3R,4S,5R)-3-fluoro-2-methoxy-4-[(4-methylphenyl)methoxy]-5-[(4-methylphenyl)methoxymethyl]thiolane
CID 118336362
(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane
CID 118336381
(2S,3S,4R,5S,6R)-2-methylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(trifluoromethyl)oxane
CID 139690800

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane (CID 10767652) is tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H]1SCC(F)(F)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is UUEZOLFXABVAKS-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H32F2O2SSi/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)32-20-25-26(28(29,30)21-33-25)31-19-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3/t25-,26-/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 498.71 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10767652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).