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

C32H65NO7 — CID 139594783

IUPAC2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C32H65NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-23-36-25-27-38-29-31-40-32-30-39-28-26-37-24-22-35-20-18-33/h12-13H,2-11,14-33H2,1H3/b13-12+
InChIKeyDRDAIHUGOGSPPA-OUKQBFOZSA-N
MW575.87 g/mol
LogP6.10
Rot. Bonds36

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

2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 139594783) has the molecular formula C32H65NO7 and a molecular weight of 575.87 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID139594783
Molecular FormulaC32H65NO7
Molecular Weight575.87 g/mol
Exact Mass575.48
IUPAC Name2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C32H65NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-23-36-25-27-38-29-31-40-32-30-39-28-26-37-24-22-35-20-18-33/h12-13H,2-11,14-33H2,1H3/b13-12+
InChIKeyDRDAIHUGOGSPPA-OUKQBFOZSA-N
XLogP6.10
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.87
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 139594783) is 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is DRDAIHUGOGSPPA-OUKQBFOZSA-N. The full InChI is InChI=1S/C32H65NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-23-36-25-27-38-29-31-40-32-30-39-28-26-37-24-22-35-20-18-33/h12-13H,2-11,14-33H2,1H3/b13-12+.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 575.87 g/mol, XLogP of 6.10, 36 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 139594783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).