3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane

C29H46F2O3Si2 — CID 162069772

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F.CC(C)(C)[Si](C)(C)OCCc1ccccc1F
InChIInChI=1S/C15H23FO2Si.C14H23FOSi/c1-15(2,3)19(4,5)18-10-9-12-7-6-8-13(11-17)14(12)16;1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h6-8,11H,9-10H2,1-5H3;6-9H,10-11H2,1-5H3
InChIKeyZAXPAPQQOLCTIM-UHFFFAOYSA-N
MW536.85 g/mol
LogP8.59
Rot. Bonds9

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane (PubChem CID 162069772) has the molecular formula C29H46F2O3Si2 and a molecular weight of 536.85 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane
PubChem CID162069772
Molecular FormulaC29H46F2O3Si2
Molecular Weight536.85 g/mol
Exact Mass536.30
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F.CC(C)(C)[Si](C)(C)OCCc1ccccc1F
InChIInChI=1S/C15H23FO2Si.C14H23FOSi/c1-15(2,3)19(4,5)18-10-9-12-7-6-8-13(11-17)14(12)16;1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h6-8,11H,9-10H2,1-5H3;6-9H,10-11H2,1-5H3
InChIKeyZAXPAPQQOLCTIM-UHFFFAOYSA-N
XLogP8.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.85
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
2-fluoro-3-propylbenzaldehyde
CID 174795778
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
CID 11100219
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylpyridine-2-carbaldehyde
CID 158302503
tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613136
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844
tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613311
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide
CID 159319590
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-nitrobenzaldehyde
CID 22436279
1-N-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-N-methylbenzene-1,4-diamine
CID 68804527

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane (CID 162069772) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1cccc(C=O)c1F.CC(C)(C)[Si](C)(C)OCCc1ccccc1F.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane?
The InChIKey is ZAXPAPQQOLCTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2Si.C14H23FOSi/c1-15(2,3)19(4,5)18-10-9-12-7-6-8-13(11-17)14(12)16;1-14(2,3)17(4,5)16-11-10-12-8-6-7-9-13(12)15/h6-8,11H,9-10H2,1-5H3;6-9H,10-11H2,1-5H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane has a molecular weight of 536.85 g/mol, XLogP of 8.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 162069772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).