2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite

C16H34INO8S — CID 167030771

IUPAC2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite
SMILESNCCOCCOCCOCCOCCOCCOCCOCCOSI
InChIInChI=1S/C16H34INO8S/c17-27-26-16-15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2-1-18/h1-16,18H2
InChIKeyONAGLNCDTUWLNZ-UHFFFAOYSA-N
MW527.42 g/mol
LogP1.08
Rot. Bonds24

About 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite

2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite (PubChem CID 167030771) has the molecular formula C16H34INO8S and a molecular weight of 527.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite
PubChem CID167030771
Molecular FormulaC16H34INO8S
Molecular Weight527.42 g/mol
Exact Mass527.10
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite
SMILESNCCOCCOCCOCCOCCOCCOCCOCCOSI
InChIInChI=1S/C16H34INO8S/c17-27-26-16-15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2-1-18/h1-16,18H2
InChIKeyONAGLNCDTUWLNZ-UHFFFAOYSA-N
XLogP1.08
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite (CID 167030771) is 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite is NCCOCCOCCOCCOCCOCCOCCOCCOSI.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite?
The InChIKey is ONAGLNCDTUWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34INO8S/c17-27-26-16-15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2-1-18/h1-16,18H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite?
2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite has a molecular weight of 527.42 g/mol, XLogP of 1.08, 24 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite is sourced from PubChem (CID 167030771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).