ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate

C17H28O3Si — CID 11758651

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28O3Si/c1-7-19-16(18)13-15(14-11-9-8-10-12-14)20-21(5,6)17(2,3)4/h8-12,15H,7,13H2,1-6H3
InChIKeyHZBHCRKVEICQKQ-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.70
Rot. Bonds6

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (PubChem CID 11758651) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
PubChem CID11758651
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28O3Si/c1-7-19-16(18)13-15(14-11-9-8-10-12-14)20-21(5,6)17(2,3)4/h8-12,15H,7,13H2,1-6H3
InChIKeyHZBHCRKVEICQKQ-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.70
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 ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (CID 11758651) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is CCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The InChIKey is HZBHCRKVEICQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-7-19-16(18)13-15(14-11-9-8-10-12-14)20-21(5,6)17(2,3)4/h8-12,15H,7,13H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate has a molecular weight of 308.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is sourced from PubChem (CID 11758651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).