3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde

C24H26O2Si — CID 10883279

IUPAC3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](OCc1cccc(C=O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-24(2,3)27(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-19-21-12-10-11-20(17-21)18-25/h4-18H,19H2,1-3H3
InChIKeyMUHKOIACOCBEND-UHFFFAOYSA-N
MW374.56 g/mol
LogP4.58
Rot. Bonds6

About 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde

3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde (PubChem CID 10883279) has the molecular formula C24H26O2Si and a molecular weight of 374.56 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
PubChem CID10883279
Molecular FormulaC24H26O2Si
Molecular Weight374.56 g/mol
Exact Mass374.17
IUPAC Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](OCc1cccc(C=O)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-24(2,3)27(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-19-21-12-10-11-20(17-21)18-25/h4-18H,19H2,1-3H3
InChIKeyMUHKOIACOCBEND-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 54.58
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 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde (CID 10883279) is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde is CC(C)(C)[Si](OCc1cccc(C=O)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
The InChIKey is MUHKOIACOCBEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2Si/c1-24(2,3)27(22-13-6-4-7-14-22,23-15-8-5-9-16-23)26-19-21-12-10-11-20(17-21)18-25/h4-18H,19H2,1-3H3.
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde has a molecular weight of 374.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde is sourced from PubChem (CID 10883279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).