5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal

C21H27FO2Si — CID 71379654

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal
SMILESCC(C)(C)[Si](OCC(F)CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-17-18(22)11-10-16-23/h4-9,12-16,18H,10-11,17H2,1-3H3
InChIKeyCOFRSKIXSCGYPB-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.88
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal

5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal (PubChem CID 71379654) has the molecular formula C21H27FO2Si and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal
PubChem CID71379654
Molecular FormulaC21H27FO2Si
Molecular Weight358.53 g/mol
Exact Mass358.18
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal
SMILESCC(C)(C)[Si](OCC(F)CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-17-18(22)11-10-16-23/h4-9,12-16,18H,10-11,17H2,1-3H3
InChIKeyCOFRSKIXSCGYPB-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.88
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 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal (CID 71379654) is 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal is CC(C)(C)[Si](OCC(F)CCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal?
The InChIKey is COFRSKIXSCGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FO2Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-17-18(22)11-10-16-23/h4-9,12-16,18H,10-11,17H2,1-3H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal?
5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal has a molecular weight of 358.53 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-4-fluoropentanal is sourced from PubChem (CID 71379654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).