tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane

C28H33FO3SSi — CID 10672902

IUPACtert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](F)CS1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33FO3SSi/c1-28(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)32-20-26-27(25(29)21-33(26)30)31-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26-,27+,33?/m1/s1
InChIKeyUSFJYUVEQFIYNL-PIGRFFGMSA-N
MW496.72 g/mol
LogP4.62
Rot. Bonds8

About tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane (PubChem CID 10672902) has the molecular formula C28H33FO3SSi and a molecular weight of 496.72 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
PubChem CID10672902
Molecular FormulaC28H33FO3SSi
Molecular Weight496.72 g/mol
Exact Mass496.19
IUPAC Nametert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](F)CS1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33FO3SSi/c1-28(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)32-20-26-27(25(29)21-33(26)30)31-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26-,27+,33?/m1/s1
InChIKeyUSFJYUVEQFIYNL-PIGRFFGMSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.72
LogP ≤ 54.62
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
(2R,3S,4R)-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 156044967
tert-butyldimethyl(((2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 162786686
tert-butyl-[[(2R,3S)-4,4-difluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
CID 10767652
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane (CID 10672902) is tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](F)CS1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is USFJYUVEQFIYNL-PIGRFFGMSA-N. The full InChI is InChI=1S/C28H33FO3SSi/c1-28(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)32-20-26-27(25(29)21-33(26)30)31-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26-,27+,33?/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3S,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 496.72 g/mol, XLogP of 4.62, 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,4S)-4-fluoro-1-oxo-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10672902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).