N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine

C24H42N2O4Si3 — CID 20836577

IUPACN-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine
SMILESCCN(CC)O[Si](C)(C)O[Si](O[Si](C)(C)ON(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H42N2O4Si3/c1-9-25(10-2)27-31(5,6)29-33(23-19-15-13-16-20-23,24-21-17-14-18-22-24)30-32(7,8)28-26(11-3)12-4/h13-22H,9-12H2,1-8H3
InChIKeySQHKQYBKGVPLJO-UHFFFAOYSA-N
MW506.87 g/mol
LogP4.23
Rot. Bonds14

About N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine

N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine (PubChem CID 20836577) has the molecular formula C24H42N2O4Si3 and a molecular weight of 506.87 g/mol. Its IUPAC name is N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine.

Molecular Properties

Compound NameN-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine
PubChem CID20836577
Molecular FormulaC24H42N2O4Si3
Molecular Weight506.87 g/mol
Exact Mass506.25
IUPAC NameN-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine
SMILESCCN(CC)O[Si](C)(C)O[Si](O[Si](C)(C)ON(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H42N2O4Si3/c1-9-25(10-2)27-31(5,6)29-33(23-19-15-13-16-20-23,24-21-17-14-18-22-24)30-32(7,8)28-26(11-3)12-4/h13-22H,9-12H2,1-8H3
InChIKeySQHKQYBKGVPLJO-UHFFFAOYSA-N
XLogP4.23
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.87
LogP ≤ 54.23
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine?
The IUPAC name of N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine (CID 20836577) is N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine.
What is the SMILES notation for N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine?
The canonical SMILES for N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine is CCN(CC)O[Si](C)(C)O[Si](O[Si](C)(C)ON(CC)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine?
The InChIKey is SQHKQYBKGVPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O4Si3/c1-9-25(10-2)27-31(5,6)29-33(23-19-15-13-16-20-23,24-21-17-14-18-22-24)30-32(7,8)28-26(11-3)12-4/h13-22H,9-12H2,1-8H3.
What are the key properties of N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine?
N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine has a molecular weight of 506.87 g/mol, XLogP of 4.23, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[diethylaminooxy(dimethyl)silyl]oxy-diphenylsilyl]oxy-dimethylsilyl]oxy-N-ethylethanamine is sourced from PubChem (CID 20836577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).