2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde

C25H28O2Si — CID 11452060

IUPAC2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde
SMILESCC(C)(C)[Si](OCCc1ccccc1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2Si/c1-25(2,3)28(23-14-6-4-7-15-23,24-16-8-5-9-17-24)27-19-18-21-12-10-11-13-22(21)20-26/h4-17,20H,18-19H2,1-3H3
InChIKeyITLTYDHCEBPIEL-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.62
Rot. Bonds7

About 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde

2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde (PubChem CID 11452060) has the molecular formula C25H28O2Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde
PubChem CID11452060
Molecular FormulaC25H28O2Si
Molecular Weight388.58 g/mol
Exact Mass388.19
IUPAC Name2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde
SMILESCC(C)(C)[Si](OCCc1ccccc1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2Si/c1-25(2,3)28(23-14-6-4-7-15-23,24-16-8-5-9-17-24)27-19-18-21-12-10-11-13-22(21)20-26/h4-17,20H,18-19H2,1-3H3
InChIKeyITLTYDHCEBPIEL-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde?
The IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde (CID 11452060) is 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde.
What is the SMILES notation for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde?
The canonical SMILES for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde is CC(C)(C)[Si](OCCc1ccccc1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde?
The InChIKey is ITLTYDHCEBPIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2Si/c1-25(2,3)28(23-14-6-4-7-15-23,24-16-8-5-9-17-24)27-19-18-21-12-10-11-13-22(21)20-26/h4-17,20H,18-19H2,1-3H3.
What are the key properties of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde?
2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde has a molecular weight of 388.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]benzaldehyde is sourced from PubChem (CID 11452060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).