5-[tert-butyl(diphenyl)silyl]oxypentanoic acid

C21H28O3Si — CID 14333793

IUPAC5-[tert-butyl(diphenyl)silyl]oxypentanoic acid
SMILESCC(C)(C)[Si](OCCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-21(2,3)25(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-17-11-10-16-20(22)23/h4-9,12-15H,10-11,16-17H2,1-3H3,(H,22,23)
InChIKeyXRGGRUWGKRJRLX-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.82
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid

5-[tert-butyl(diphenyl)silyl]oxypentanoic acid (PubChem CID 14333793) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypentanoic acid
PubChem CID14333793
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypentanoic acid
SMILESCC(C)(C)[Si](OCCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-21(2,3)25(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-17-11-10-16-20(22)23/h4-9,12-15H,10-11,16-17H2,1-3H3,(H,22,23)
InChIKeyXRGGRUWGKRJRLX-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]oxypentanoic acid?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid (CID 14333793) is 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid is CC(C)(C)[Si](OCCCCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid?
The InChIKey is XRGGRUWGKRJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-21(2,3)25(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-17-11-10-16-20(22)23/h4-9,12-15H,10-11,16-17H2,1-3H3,(H,22,23).
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid?
5-[tert-butyl(diphenyl)silyl]oxypentanoic acid has a molecular weight of 356.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxypentanoic acid is sourced from PubChem (CID 14333793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).