2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine

C11H27NO4Si — CID 151724970

IUPAC2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine
SMILESCCNCCO[Si](CC(C)C)(OCC)OOC
InChIInChI=1S/C11H27NO4Si/c1-6-12-8-9-15-17(14-7-2,16-13-5)10-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyRJJQQKUIQVNEOL-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.82
Rot. Bonds11

About 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine

2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine (PubChem CID 151724970) has the molecular formula C11H27NO4Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine
PubChem CID151724970
Molecular FormulaC11H27NO4Si
Molecular Weight265.43 g/mol
Exact Mass265.17
IUPAC Name2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine
SMILESCCNCCO[Si](CC(C)C)(OCC)OOC
InChIInChI=1S/C11H27NO4Si/c1-6-12-8-9-15-17(14-7-2,16-13-5)10-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyRJJQQKUIQVNEOL-UHFFFAOYSA-N
XLogP1.82
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine?
The IUPAC name of 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine (CID 151724970) is 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine.
What is the SMILES notation for 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine?
The canonical SMILES for 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine is CCNCCO[Si](CC(C)C)(OCC)OOC.
What is the InChIKey of 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine?
The InChIKey is RJJQQKUIQVNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO4Si/c1-6-12-8-9-15-17(14-7-2,16-13-5)10-11(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine?
2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine has a molecular weight of 265.43 g/mol, XLogP of 1.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine is sourced from PubChem (CID 151724970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).