ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate

C22H36O6Si — CID 11166171

IUPACethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate
SMILESCCOC(=O)C(OO[Si](CC)(CC)CC)C1OOC(C)(c2ccccc2)C1(C)C
InChIInChI=1S/C22H36O6Si/c1-8-24-20(23)18(25-28-29(9-2,10-3)11-4)19-21(5,6)22(7,27-26-19)17-15-13-12-14-16-17/h12-16,18-19H,8-11H2,1-7H3
InChIKeyCNSRUXAGIZVDOF-UHFFFAOYSA-N
MW424.61 g/mol
LogP5.14
Rot. Bonds10

About ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate

ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate (PubChem CID 11166171) has the molecular formula C22H36O6Si and a molecular weight of 424.61 g/mol. Its IUPAC name is ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate
PubChem CID11166171
Molecular FormulaC22H36O6Si
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC Nameethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate
SMILESCCOC(=O)C(OO[Si](CC)(CC)CC)C1OOC(C)(c2ccccc2)C1(C)C
InChIInChI=1S/C22H36O6Si/c1-8-24-20(23)18(25-28-29(9-2,10-3)11-4)19-21(5,6)22(7,27-26-19)17-15-13-12-14-16-17/h12-16,18-19H,8-11H2,1-7H3
InChIKeyCNSRUXAGIZVDOF-UHFFFAOYSA-N
XLogP5.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate?
The IUPAC name of ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate (CID 11166171) is ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate is CCOC(=O)C(OO[Si](CC)(CC)CC)C1OOC(C)(c2ccccc2)C1(C)C.
What is the InChIKey of ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate?
The InChIKey is CNSRUXAGIZVDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O6Si/c1-8-24-20(23)18(25-28-29(9-2,10-3)11-4)19-21(5,6)22(7,27-26-19)17-15-13-12-14-16-17/h12-16,18-19H,8-11H2,1-7H3.
What are the key properties of ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate?
ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate has a molecular weight of 424.61 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-triethylsilylperoxy-2-(4,4,5-trimethyl-5-phenyldioxolan-3-yl)acetate is sourced from PubChem (CID 11166171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).