methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate

C21H28O3Si — CID 59627523

IUPACmethyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate
SMILESCOC(=O)CC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O3Si/c1-17(16-20(22)23-5)24-25(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3
InChIKeyDZKFGVOSLTYFMD-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.51
Rot. Bonds6

About methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate

methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate (PubChem CID 59627523) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate
PubChem CID59627523
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Namemethyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate
SMILESCOC(=O)CC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O3Si/c1-17(16-20(22)23-5)24-25(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3
InChIKeyDZKFGVOSLTYFMD-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate?
The IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate (CID 59627523) is methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate.
What is the SMILES notation for methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate?
The canonical SMILES for methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate is COC(=O)CC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate?
The InChIKey is DZKFGVOSLTYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-17(16-20(22)23-5)24-25(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3.
What are the key properties of methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate?
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate has a molecular weight of 356.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate is sourced from PubChem (CID 59627523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).