5-[tert-butyl(diphenyl)silyl]oxypentanal

C21H28O2Si — CID 10449949

IUPAC5-[tert-butyl(diphenyl)silyl]oxypentanal
SMILESCC(C)(C)[Si](OCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3
InChIKeyJSKDEYZLZCBUOH-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.93
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxypentanal

5-[tert-butyl(diphenyl)silyl]oxypentanal (PubChem CID 10449949) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypentanal.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypentanal
PubChem CID10449949
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypentanal
SMILESCC(C)(C)[Si](OCCCCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3
InChIKeyJSKDEYZLZCBUOH-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.93
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 5-[tert-butyl(diphenyl)silyl]oxypentanal?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentanal (CID 10449949) is 5-[tert-butyl(diphenyl)silyl]oxypentanal.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypentanal?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypentanal is CC(C)(C)[Si](OCCCCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypentanal?
The InChIKey is JSKDEYZLZCBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypentanal?
5-[tert-butyl(diphenyl)silyl]oxypentanal has a molecular weight of 340.54 g/mol, XLogP of 3.93, 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]oxypentanal is sourced from PubChem (CID 10449949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).