2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid

C26H56N2O11 — CID 87879074

IUPAC2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.OCCON(OCCO)ON(OCCO)OCCO
InChIInChI=1S/C18H36O2.C8H20N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-1-5-15-9(16-6-2-12)19-10(17-7-3-13)18-8-4-14/h2-17H2,1H3,(H,19,20);11-14H,1-8H2
InChIKeyRMHNVXHPYBNGQM-UHFFFAOYSA-N
MW572.74 g/mol
LogP3.47
Rot. Bonds30

About 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid

2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid (PubChem CID 87879074) has the molecular formula C26H56N2O11 and a molecular weight of 572.74 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
PubChem CID87879074
Molecular FormulaC26H56N2O11
Molecular Weight572.74 g/mol
Exact Mass572.39
IUPAC Name2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.OCCON(OCCO)ON(OCCO)OCCO
InChIInChI=1S/C18H36O2.C8H20N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-1-5-15-9(16-6-2-12)19-10(17-7-3-13)18-8-4-14/h2-17H2,1H3,(H,19,20);11-14H,1-8H2
InChIKeyRMHNVXHPYBNGQM-UHFFFAOYSA-N
XLogP3.47
TPSA170.85 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364
dodecanoic acid;hexadecan-1-ol;octadecane
CID 175592035
butanedioic acid;decanoic acid;ethane-1,2-diol
CID 174941977
heptanoic acid;bis(octadecan-1-ol);octanoic acid
CID 175488622
dodecane-1,12-diol;dodecanoic acid
CID 87364102
calcium;dodecanoic acid;hydride
CID 172998116

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid?
The IUPAC name of 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid (CID 87879074) is 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid.
What is the SMILES notation for 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid?
The canonical SMILES for 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.OCCON(OCCO)ON(OCCO)OCCO.
What is the InChIKey of 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid?
The InChIKey is RMHNVXHPYBNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C8H20N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-1-5-15-9(16-6-2-12)19-10(17-7-3-13)18-8-4-14/h2-17H2,1H3,(H,19,20);11-14H,1-8H2.
What are the key properties of 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid?
2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid has a molecular weight of 572.74 g/mol, XLogP of 3.47, 30 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid is sourced from PubChem (CID 87879074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).