2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C44H89NO13 — CID 139594492

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C44H89NO13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-46-21-23-48-25-27-50-29-31-52-33-35-54-37-39-56-41-43-58-44-42-57-40-38-55-36-34-53-32-30-51-28-26-49-24-22-47-20-18-45/h12-13H,2-11,14-45H2,1H3/b13-12+
InChIKeyCCUFEHIPZGWREC-OUKQBFOZSA-N
MW840.19 g/mol
LogP6.20
Rot. Bonds54

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 139594492) has the molecular formula C44H89NO13 and a molecular weight of 840.19 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID139594492
Molecular FormulaC44H89NO13
Molecular Weight840.19 g/mol
Exact Mass839.63
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C44H89NO13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-46-21-23-48-25-27-50-29-31-52-33-35-54-37-39-56-41-43-58-44-42-57-40-38-55-36-34-53-32-30-51-28-26-49-24-22-47-20-18-45/h12-13H,2-11,14-45H2,1H3/b13-12+
InChIKeyCCUFEHIPZGWREC-OUKQBFOZSA-N
XLogP6.20
TPSA146.01 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds54
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.19
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 139594492) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is CCUFEHIPZGWREC-OUKQBFOZSA-N. The full InChI is InChI=1S/C44H89NO13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-46-21-23-48-25-27-50-29-31-52-33-35-54-37-39-56-41-43-58-44-42-57-40-38-55-36-34-53-32-30-51-28-26-49-24-22-47-20-18-45/h12-13H,2-11,14-45H2,1H3/b13-12+.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 840.19 g/mol, XLogP of 6.20, 54 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 139594492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).