tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane

C25H35FO5Si — CID 24751126

IUPACtert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@@H]1[C@@H](OC)[C@@H](F)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC
InChIInChI=1S/C25H35FO5Si/c1-25(2,3)32(18-13-9-7-10-14-18,19-15-11-8-12-16-19)30-17-20-21(27-4)22(28-5)23(29-6)24(26)31-20/h7-16,20-24H,17H2,1-6H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyRTOYWAFZQNNODK-SJSRKZJXSA-N
MW462.63 g/mol
LogP3.30
Rot. Bonds8

About tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane (PubChem CID 24751126) has the molecular formula C25H35FO5Si and a molecular weight of 462.63 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane
PubChem CID24751126
Molecular FormulaC25H35FO5Si
Molecular Weight462.63 g/mol
Exact Mass462.22
IUPAC Nametert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@@H]1[C@@H](OC)[C@@H](F)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC
InChIInChI=1S/C25H35FO5Si/c1-25(2,3)32(18-13-9-7-10-14-18,19-15-11-8-12-16-19)30-17-20-21(27-4)22(28-5)23(29-6)24(26)31-20/h7-16,20-24H,17H2,1-6H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyRTOYWAFZQNNODK-SJSRKZJXSA-N
XLogP3.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane (CID 24751126) is tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane is CO[C@@H]1[C@@H](OC)[C@@H](F)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC.
What is the InChIKey of tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane?
The InChIKey is RTOYWAFZQNNODK-SJSRKZJXSA-N. The full InChI is InChI=1S/C25H35FO5Si/c1-25(2,3)32(18-13-9-7-10-14-18,19-15-11-8-12-16-19)30-17-20-21(27-4)22(28-5)23(29-6)24(26)31-20/h7-16,20-24H,17H2,1-6H3/t20-,21-,22+,23-,24+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane has a molecular weight of 462.63 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4S,5R,6R)-6-fluoro-3,4,5-trimethoxyoxan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 24751126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).