2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde

C22H26O2Si — CID 11100219

IUPAC2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccccc1C#Cc1ccccc1C=O
InChIInChI=1S/C22H26O2Si/c1-22(2,3)25(4,5)24-17-21-13-9-7-11-19(21)15-14-18-10-6-8-12-20(18)16-23/h6-13,16H,17H2,1-5H3
InChIKeyIMJLKZDRUCJCSN-UHFFFAOYSA-N
MW350.53 g/mol
LogP5.42
Rot. Bonds4

About 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde

2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde (PubChem CID 11100219) has the molecular formula C22H26O2Si and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
PubChem CID11100219
Molecular FormulaC22H26O2Si
Molecular Weight350.53 g/mol
Exact Mass350.17
IUPAC Name2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccccc1C#Cc1ccccc1C=O
InChIInChI=1S/C22H26O2Si/c1-22(2,3)25(4,5)24-17-21-13-9-7-11-19(21)15-14-18-10-6-8-12-20(18)16-23/h6-13,16H,17H2,1-5H3
InChIKeyIMJLKZDRUCJCSN-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
CID 11110861
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
tert-butyl-[[2-[(E)-hept-1-enyl]phenyl]methoxy]-dimethylsilane
CID 22559339
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane
CID 162069772
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde
CID 175822423
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde?
The IUPAC name of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde (CID 11100219) is 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde.
What is the SMILES notation for 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde?
The canonical SMILES for 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde is CC(C)(C)[Si](C)(C)OCc1ccccc1C#Cc1ccccc1C=O.
What is the InChIKey of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde?
The InChIKey is IMJLKZDRUCJCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2Si/c1-22(2,3)25(4,5)24-17-21-13-9-7-11-19(21)15-14-18-10-6-8-12-20(18)16-23/h6-13,16H,17H2,1-5H3.
What are the key properties of 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde?
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde has a molecular weight of 350.53 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde is sourced from PubChem (CID 11100219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).