4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol

C23H30FIO3Si — CID 57138515

IUPAC4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol
SMILESCOC1CC(O)([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(F)C(CI)O1
InChIInChI=1S/C23H30FIO3Si/c1-22(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)23(26)15-20(27-4)28-19(16-25)21(23)24/h5-14,19-21,26H,15-16H2,1-4H3
InChIKeyBJRBPXZBMXJBJJ-UHFFFAOYSA-N
MW528.48 g/mol
LogP3.85
Rot. Bonds5

About 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol

4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol (PubChem CID 57138515) has the molecular formula C23H30FIO3Si and a molecular weight of 528.48 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol
PubChem CID57138515
Molecular FormulaC23H30FIO3Si
Molecular Weight528.48 g/mol
Exact Mass528.10
IUPAC Name4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol
SMILESCOC1CC(O)([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(F)C(CI)O1
InChIInChI=1S/C23H30FIO3Si/c1-22(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)23(26)15-20(27-4)28-19(16-25)21(23)24/h5-14,19-21,26H,15-16H2,1-4H3
InChIKeyBJRBPXZBMXJBJJ-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
CID 70364149
(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
CID 140966523
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
(2S,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]-hydroxymethyl]-6-(2-trimethylsilylethoxy)oxane-3,4,5-triol
CID 90797458
[(2S,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol
CID 13374022
Methyl 6-O-[tert-butyl(diphenyl)silyl]-alpha-D-glucopyranoside
CID 2778197
(2R,3S,4S,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 10895320
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
methyl 6-O-tert-butyldiphenylsilyl-beta-D-glucopyranoside
CID 11761839
[4-[Tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol
CID 13374023

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol (CID 57138515) is 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol is COC1CC(O)([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(F)C(CI)O1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol?
The InChIKey is BJRBPXZBMXJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FIO3Si/c1-22(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)23(26)15-20(27-4)28-19(16-25)21(23)24/h5-14,19-21,26H,15-16H2,1-4H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol?
4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol has a molecular weight of 528.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-ol is sourced from PubChem (CID 57138515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).