[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol

C17H27FO3Si — CID 123636391

IUPAC[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCC1(c2ccccc2F)OC1CO
InChIInChI=1S/C17H27FO3Si/c1-16(2,3)22(4,5)20-11-10-17(15(12-19)21-17)13-8-6-7-9-14(13)18/h6-9,15,19H,10-12H2,1-5H3
InChIKeyWAUMXSKESVSAIR-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.82
Rot. Bonds6

About [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol

[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol (PubChem CID 123636391) has the molecular formula C17H27FO3Si and a molecular weight of 326.48 g/mol. Its IUPAC name is [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol
PubChem CID123636391
Molecular FormulaC17H27FO3Si
Molecular Weight326.48 g/mol
Exact Mass326.17
IUPAC Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCC1(c2ccccc2F)OC1CO
InChIInChI=1S/C17H27FO3Si/c1-16(2,3)22(4,5)20-11-10-17(15(12-19)21-17)13-8-6-7-9-14(13)18/h6-9,15,19H,10-12H2,1-5H3
InChIKeyWAUMXSKESVSAIR-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613136
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane
CID 162069772
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
[(2R,3S)-3-[[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methyl]-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 71817069
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 18788179
tert-butyl N-[3-(2-fluorophenyl)-2-(hydroxymethyl)oxolan-3-yl]carbamate
CID 123503742
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217

Frequently Asked Questions

What is the IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol?
The IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol (CID 123636391) is [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol?
The canonical SMILES for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol is CC(C)(C)[Si](C)(C)OCCC1(c2ccccc2F)OC1CO.
What is the InChIKey of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol?
The InChIKey is WAUMXSKESVSAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO3Si/c1-16(2,3)22(4,5)20-11-10-17(15(12-19)21-17)13-8-6-7-9-14(13)18/h6-9,15,19H,10-12H2,1-5H3.
What are the key properties of [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol?
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol has a molecular weight of 326.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-fluorophenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 123636391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).