potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate

C24H48KNO5 — CID 174521265

IUPACpotassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].OCCN(CCO)CCO.[K+]
InChIInChI=1S/C18H34O2.C6H15NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10;/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2;/q;;+1/p-1/b10-9-;;
InChIKeyWDFKWLHMGRICTF-XXAVUKJNSA-M
MW469.75 g/mol
LogP0.04
Rot. Bonds21

About potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate

potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate (PubChem CID 174521265) has the molecular formula C24H48KNO5 and a molecular weight of 469.75 g/mol. Its IUPAC name is potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate.

Molecular Properties

Compound Namepotassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate
PubChem CID174521265
Molecular FormulaC24H48KNO5
Molecular Weight469.75 g/mol
Exact Mass469.32
IUPAC Namepotassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].OCCN(CCO)CCO.[K+]
InChIInChI=1S/C18H34O2.C6H15NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10;/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2;/q;;+1/p-1/b10-9-;;
InChIKeyWDFKWLHMGRICTF-XXAVUKJNSA-M
XLogP0.04
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.75
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
lithium (Z)-octadec-9-enoate
CID 23673654
iron(3+);(Z)-octadec-9-enoate
CID 22297787
tris(octadec-9-enoate);thulium(3+)
CID 173065522
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
erbium(3+);tris((Z)-octadec-11-enoate)
CID 175691885

Frequently Asked Questions

What is the IUPAC name of potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate?
The IUPAC name of potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate (CID 174521265) is potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate.
What is the SMILES notation for potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate?
The canonical SMILES for potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].OCCN(CCO)CCO.[K+].
What is the InChIKey of potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate?
The InChIKey is WDFKWLHMGRICTF-XXAVUKJNSA-M. The full InChI is InChI=1S/C18H34O2.C6H15NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10;/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2;/q;;+1/p-1/b10-9-;;.
What are the key properties of potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate?
potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate has a molecular weight of 469.75 g/mol, XLogP of 0.04, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoate is sourced from PubChem (CID 174521265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).