4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal

C22H30O2Si — CID 11046453

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-21(2,3)25(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-16-22(4,5)18-23/h6-15,18H,16-17H2,1-5H3
InChIKeyQJYHBUVUYJYDGI-UHFFFAOYSA-N
MW354.57 g/mol
LogP4.18
Rot. Bonds7

About 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal

4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal (PubChem CID 11046453) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal
PubChem CID11046453
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal
SMILESCC(C)(C=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-21(2,3)25(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-16-22(4,5)18-23/h6-15,18H,16-17H2,1-5H3
InChIKeyQJYHBUVUYJYDGI-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.18
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 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal (CID 11046453) is 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal is CC(C)(C=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal?
The InChIKey is QJYHBUVUYJYDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-21(2,3)25(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-16-22(4,5)18-23/h6-15,18H,16-17H2,1-5H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal?
4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal has a molecular weight of 354.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutanal is sourced from PubChem (CID 11046453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).