[5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate

C26H38O4Si — CID 58657748

IUPAC[5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O4Si/c1-25(2,3)24(28)29-19-17-21(27)18-20-30-31(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,27H,17-20H2,1-6H3
InChIKeyUJHYBRQIVBFGIN-UHFFFAOYSA-N
MW442.67 g/mol
LogP4.29
Rot. Bonds9

About [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate

[5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate (PubChem CID 58657748) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate
PubChem CID58657748
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Name[5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O4Si/c1-25(2,3)24(28)29-19-17-21(27)18-20-30-31(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,27H,17-20H2,1-6H3
InChIKeyUJHYBRQIVBFGIN-UHFFFAOYSA-N
XLogP4.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-hydroxypentyl] 2,2-dimethylpropanoate?
The IUPAC name of [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate (CID 58657748) is [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCC(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate?
The InChIKey is UJHYBRQIVBFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-25(2,3)24(28)29-19-17-21(27)18-20-30-31(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,27H,17-20H2,1-6H3.
What are the key properties of [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate?
[5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate has a molecular weight of 442.67 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 58657748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).