2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol

C16H35NO4 — CID 5174675

IUPAC2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCN(CCCC)CCOCCOCCOCCO
InChIInChI=1S/C16H35NO4/c1-3-5-7-17(8-6-4-2)9-11-19-13-15-21-16-14-20-12-10-18/h18H,3-16H2,1-2H3
InChIKeyOWSKJHGPVFJIIK-UHFFFAOYSA-N
MW305.46 g/mol
LogP1.93
Rot. Bonds17

About 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 5174675) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID5174675
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCN(CCCC)CCOCCOCCOCCO
InChIInChI=1S/C16H35NO4/c1-3-5-7-17(8-6-4-2)9-11-19-13-15-21-16-14-20-12-10-18/h18H,3-16H2,1-2H3
InChIKeyOWSKJHGPVFJIIK-UHFFFAOYSA-N
XLogP1.93
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol (CID 5174675) is 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol is CCCCN(CCCC)CCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is OWSKJHGPVFJIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-3-5-7-17(8-6-4-2)9-11-19-13-15-21-16-14-20-12-10-18/h18H,3-16H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 305.46 g/mol, XLogP of 1.93, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 5174675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).