1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol

C29H61NO6 — CID 138401763

IUPAC1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESCCCCCCCCCCCCCCNCCOCCOCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C29H61NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-30-18-19-32-20-21-33-22-23-34-25-28(3)36-26-29(4)35-24-27(2)31/h27-31H,5-26H2,1-4H3
InChIKeyBGWBMBBLJXIPQO-UHFFFAOYSA-N
MW519.81 g/mol
LogP5.52
Rot. Bonds30

About 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol

1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol (PubChem CID 138401763) has the molecular formula C29H61NO6 and a molecular weight of 519.81 g/mol. Its IUPAC name is 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
PubChem CID138401763
Molecular FormulaC29H61NO6
Molecular Weight519.81 g/mol
Exact Mass519.45
IUPAC Name1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESCCCCCCCCCCCCCCNCCOCCOCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C29H61NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-30-18-19-32-20-21-33-22-23-34-25-28(3)36-26-29(4)35-24-27(2)31/h27-31H,5-26H2,1-4H3
InChIKeyBGWBMBBLJXIPQO-UHFFFAOYSA-N
XLogP5.52
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.81
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol (CID 138401763) is 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol is CCCCCCCCCCCCCCNCCOCCOCCOCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The InChIKey is BGWBMBBLJXIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-30-18-19-32-20-21-33-22-23-34-25-28(3)36-26-29(4)35-24-27(2)31/h27-31H,5-26H2,1-4H3.
What are the key properties of 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol has a molecular weight of 519.81 g/mol, XLogP of 5.52, 30 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-[2-[2-(tetradecylamino)ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 138401763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).