[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate

C26H33FO6Si — CID 123862156

IUPAC[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CF)C1OC(C)=O
InChIInChI=1S/C26H33FO6Si/c1-18(28)31-24-22(16-27)23(33-25(24)32-19(2)29)17-30-34(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3
InChIKeyLUTIECIAYOWKJH-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.37
Rot. Bonds8

About [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate

[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate (PubChem CID 123862156) has the molecular formula C26H33FO6Si and a molecular weight of 488.63 g/mol. Its IUPAC name is [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
PubChem CID123862156
Molecular FormulaC26H33FO6Si
Molecular Weight488.63 g/mol
Exact Mass488.20
IUPAC Name[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CF)C1OC(C)=O
InChIInChI=1S/C26H33FO6Si/c1-18(28)31-24-22(16-27)23(33-25(24)32-19(2)29)17-30-34(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3
InChIKeyLUTIECIAYOWKJH-UHFFFAOYSA-N
XLogP3.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
CID 161404652
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentyl] acetate
CID 357861
[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 10788072
[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 12042799
[4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate
CID 18783252
(2R,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
CID 57867357
(2R,3R,4R)-2-((tert-butyldiphenylsilyloxy)methyl)-4-fluoro-5-methoxy-4-methyl-tetrahydrofuran-3-ol
CID 57867368
(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
CID 57867373
(2R,4S)-2-((tert-butyldiphenylsilyloxy)methyl)-4-fluoro-5-methoxy-4-methyl-dihydrofuran-3(2H)-one
CID 57867404
(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxy-4-fluoro-3,4-dimethyloxolan-3-ol
CID 57867411
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 59017204
[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate
CID 59400967

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
The IUPAC name of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate (CID 123862156) is [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
The canonical SMILES for [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate is CC(=O)OC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CF)C1OC(C)=O.
What is the InChIKey of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
The InChIKey is LUTIECIAYOWKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FO6Si/c1-18(28)31-24-22(16-27)23(33-25(24)32-19(2)29)17-30-34(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3.
What are the key properties of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate has a molecular weight of 488.63 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 123862156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).