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

C16H26O3Si — CID 616956

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(5,6)19-14(12-15(17)18-4)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyFRKDLPYKUUIJTD-UHFFFAOYSA-N
MW294.47 g/mol
LogP4.31
Rot. Bonds5

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

methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (PubChem CID 616956) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
PubChem CID616956
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCOC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(5,6)19-14(12-15(17)18-4)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyFRKDLPYKUUIJTD-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.31
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(dimethyl)silyl]oxy-3-phenylpropanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (CID 616956) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is COC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The InChIKey is FRKDLPYKUUIJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(5,6)19-14(12-15(17)18-4)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate has a molecular weight of 294.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is sourced from PubChem (CID 616956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).