2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde

C18H22O2Si — CID 10040359

IUPAC2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde
SMILESCC(C)(C)[Si](OCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
InChIKeyFQHOGJNOFHSSKY-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.76
Rot. Bonds5

About 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde

2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde (PubChem CID 10040359) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde
PubChem CID10040359
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde
SMILESCC(C)(C)[Si](OCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
InChIKeyFQHOGJNOFHSSKY-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.76
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]oxyacetaldehyde?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde (CID 10040359) is 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde is CC(C)(C)[Si](OCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde?
The InChIKey is FQHOGJNOFHSSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde?
2-[tert-butyl(diphenyl)silyl]oxyacetaldehyde has a molecular weight of 298.46 g/mol, XLogP of 2.76, 5 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]oxyacetaldehyde is sourced from PubChem (CID 10040359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).