N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine

C14H38N2O6Si4 — CID 18541971

IUPACN-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine
SMILESCCN(CC)O[Si]1(ON(CC)CC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C14H38N2O6Si4/c1-11-15(12-2)17-26(18-16(13-3)14-4)21-24(7,8)19-23(5,6)20-25(9,10)22-26/h11-14H2,1-10H3
InChIKeyLXUDRQBMFVSERF-UHFFFAOYSA-N
MW442.81 g/mol
LogP3.15
Rot. Bonds8

About N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine

N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine (PubChem CID 18541971) has the molecular formula C14H38N2O6Si4 and a molecular weight of 442.81 g/mol. Its IUPAC name is N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine
PubChem CID18541971
Molecular FormulaC14H38N2O6Si4
Molecular Weight442.81 g/mol
Exact Mass442.18
IUPAC NameN-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine
SMILESCCN(CC)O[Si]1(ON(CC)CC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C14H38N2O6Si4/c1-11-15(12-2)17-26(18-16(13-3)14-4)21-24(7,8)19-23(5,6)20-25(9,10)22-26/h11-14H2,1-10H3
InChIKeyLXUDRQBMFVSERF-UHFFFAOYSA-N
XLogP3.15
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.81
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine?
The IUPAC name of N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine (CID 18541971) is N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine.
What is the SMILES notation for N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine?
The canonical SMILES for N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine is CCN(CC)O[Si]1(ON(CC)CC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine?
The InChIKey is LXUDRQBMFVSERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H38N2O6Si4/c1-11-15(12-2)17-26(18-16(13-3)14-4)21-24(7,8)19-23(5,6)20-25(9,10)22-26/h11-14H2,1-10H3.
What are the key properties of N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine?
N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine has a molecular weight of 442.81 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminooxy)-4,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]oxy]-N-ethylethanamine is sourced from PubChem (CID 18541971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).