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

C24H26O2Si — CID 19697068

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](OCc1ccccc1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-24(2,3)27(22-14-6-4-7-15-22,23-16-8-5-9-17-23)26-19-21-13-11-10-12-20(21)18-25/h4-18H,19H2,1-3H3
InChIKeyPDDVWXLOTUSMCM-UHFFFAOYSA-N
MW374.56 g/mol
LogP4.58
Rot. Bonds6

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

2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde (PubChem CID 19697068) has the molecular formula C24H26O2Si and a molecular weight of 374.56 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
PubChem CID19697068
Molecular FormulaC24H26O2Si
Molecular Weight374.56 g/mol
Exact Mass374.17
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](OCc1ccccc1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-24(2,3)27(22-14-6-4-7-15-22,23-16-8-5-9-17-23)26-19-21-13-11-10-12-20(21)18-25/h4-18H,19H2,1-3H3
InChIKeyPDDVWXLOTUSMCM-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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde (CID 19697068) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde is CC(C)(C)[Si](OCc1ccccc1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
The InChIKey is PDDVWXLOTUSMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2Si/c1-24(2,3)27(22-14-6-4-7-15-22,23-16-8-5-9-17-23)26-19-21-13-11-10-12-20(21)18-25/h4-18H,19H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde?
2-[[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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzaldehyde is sourced from PubChem (CID 19697068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).