4-[tert-butyl(diphenyl)silyl]oxybutanal

C20H26O2Si — CID 10871112

IUPAC4-[tert-butyl(diphenyl)silyl]oxybutanal
SMILESCC(C)(C)[Si](OCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-16H,10-11,17H2,1-3H3
InChIKeyFIGNMIFTOBCQOY-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.54
Rot. Bonds7

About 4-[tert-butyl(diphenyl)silyl]oxybutanal

4-[tert-butyl(diphenyl)silyl]oxybutanal (PubChem CID 10871112) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybutanal.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxybutanal
PubChem CID10871112
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybutanal
SMILESCC(C)(C)[Si](OCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-16H,10-11,17H2,1-3H3
InChIKeyFIGNMIFTOBCQOY-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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]oxybutanal?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybutanal (CID 10871112) is 4-[tert-butyl(diphenyl)silyl]oxybutanal.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxybutanal?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxybutanal is CC(C)(C)[Si](OCCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxybutanal?
The InChIKey is FIGNMIFTOBCQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-16H,10-11,17H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxybutanal?
4-[tert-butyl(diphenyl)silyl]oxybutanal has a molecular weight of 326.51 g/mol, XLogP of 3.54, 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]oxybutanal is sourced from PubChem (CID 10871112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).