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

C28H33FO2SSi — CID 10767090

IUPACtert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1SC[C@@H](F)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33FO2SSi/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-26-27(25(29)21-32-26)30-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26-,27+/m1/s1
InChIKeyRYJOWHINGGRTPO-PFBJBMPXSA-N
MW480.72 g/mol
LogP5.60
Rot. Bonds8

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

tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane (PubChem CID 10767090) has the molecular formula C28H33FO2SSi and a molecular weight of 480.72 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
PubChem CID10767090
Molecular FormulaC28H33FO2SSi
Molecular Weight480.72 g/mol
Exact Mass480.20
IUPAC Nametert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1SC[C@@H](F)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33FO2SSi/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-26-27(25(29)21-32-26)30-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26-,27+/m1/s1
InChIKeyRYJOWHINGGRTPO-PFBJBMPXSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.72
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane (CID 10767090) is tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H]1SC[C@@H](F)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is RYJOWHINGGRTPO-PFBJBMPXSA-N. The full InChI is InChI=1S/C28H33FO2SSi/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-26-27(25(29)21-32-26)30-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26-,27+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 480.72 g/mol, XLogP of 5.60, 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-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10767090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).