tris(2-hydroxyethyl)azanium;undecanoate

C17H37NO5 — CID 142313792

IUPACtris(2-hydroxyethyl)azanium;undecanoate
SMILESCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C11H22O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H,12,13);8-10H,1-6H2
InChIKeyYUGQAXMSFXLTRQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP-0.88
Rot. Bonds15

About tris(2-hydroxyethyl)azanium;undecanoate

tris(2-hydroxyethyl)azanium;undecanoate (PubChem CID 142313792) has the molecular formula C17H37NO5 and a molecular weight of 335.49 g/mol. Its IUPAC name is tris(2-hydroxyethyl)azanium;undecanoate.

Molecular Properties

Compound Nametris(2-hydroxyethyl)azanium;undecanoate
PubChem CID142313792
Molecular FormulaC17H37NO5
Molecular Weight335.49 g/mol
Exact Mass335.27
IUPAC Nametris(2-hydroxyethyl)azanium;undecanoate
SMILESCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C11H22O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H,12,13);8-10H,1-6H2
InChIKeyYUGQAXMSFXLTRQ-UHFFFAOYSA-N
XLogP-0.88
TPSA105.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecanoate;tripropylazanium
CID 139301601
2-hydroxyethyl(dimethyl)azanium;octanoate
CID 57346607
sodium;dodecanoate;ethane-1,2-diol
CID 23720166
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
butan-1-ol;bis(octadecanoate);titanium(2+)
CID 158035093
sodium;dodecan-1-ol;octadecanoate
CID 174506535
5-(dibutylazaniumyl)pentanoate
CID 28983390
potassium heptadecanoate
CID 23668524
iron(3+);tris(tridecanoate)
CID 22072700
iron(2+);bis(nonanoate)
CID 90001894

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)azanium;undecanoate?
The IUPAC name of tris(2-hydroxyethyl)azanium;undecanoate (CID 142313792) is tris(2-hydroxyethyl)azanium;undecanoate.
What is the SMILES notation for tris(2-hydroxyethyl)azanium;undecanoate?
The canonical SMILES for tris(2-hydroxyethyl)azanium;undecanoate is CCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO.
What is the InChIKey of tris(2-hydroxyethyl)azanium;undecanoate?
The InChIKey is YUGQAXMSFXLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H,12,13);8-10H,1-6H2.
What are the key properties of tris(2-hydroxyethyl)azanium;undecanoate?
tris(2-hydroxyethyl)azanium;undecanoate has a molecular weight of 335.49 g/mol, XLogP of -0.88, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)azanium;undecanoate is sourced from PubChem (CID 142313792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).