potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride

C18H36ClKN2O6 — CID 23689698

IUPACpotassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
SMILESC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.[Cl-].[K+]
InChIInChI=1S/C18H36N2O6.ClH.K/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;;/h1-18H2;1H;/q;;+1/p-1
InChIKeyJAQNERUSVRFJEK-UHFFFAOYSA-M
MW451.05 g/mol
LogP-6.27
Rot. Bonds

About potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride

potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride (PubChem CID 23689698) has the molecular formula C18H36ClKN2O6 and a molecular weight of 451.05 g/mol. Its IUPAC name is potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride.

Molecular Properties

Compound Namepotassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
PubChem CID23689698
Molecular FormulaC18H36ClKN2O6
Molecular Weight451.05 g/mol
Exact Mass450.19
IUPAC Namepotassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
SMILESC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.[Cl-].[K+]
InChIInChI=1S/C18H36N2O6.ClH.K/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;;/h1-18H2;1H;/q;;+1/p-1
InChIKeyJAQNERUSVRFJEK-UHFFFAOYSA-M
XLogP-6.27
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.05
LogP ≤ 5-6.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
CID 58981463
4,13-dimethyl-7,10,19,24-tetraoxa-1,4,13,16-tetrazabicyclo[14.5.5]hexacosane
CID 174301861
1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
potassium;1,4-dioxane;hydroxide
CID 70357034
1,4-dioxane
CID 161483686
1,4,7-dioxazonan-7-amine
CID 147560539
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
morpholin-4-ylaluminum(2+) dichloride
CID 174418482
4-oxa-1-azabicyclo[4.2.2]decane
CID 118209761
7-methyl-1,4,7-dioxazecane
CID 59020799
5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
CID 123259415
tetramethyl 4,7-dioxa-1,10,13,16,21,24-hexazabicyclo[8.8.8]hexacosane-13,16,21,24-tetracarboxylate
CID 21316321

Frequently Asked Questions

What is the IUPAC name of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride?
The IUPAC name of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride (CID 23689698) is potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride.
What is the SMILES notation for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride?
The canonical SMILES for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride is C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.[Cl-].[K+].
What is the InChIKey of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride?
The InChIKey is JAQNERUSVRFJEK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36N2O6.ClH.K/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;;/h1-18H2;1H;/q;;+1/p-1.
What are the key properties of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride?
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride has a molecular weight of 451.05 g/mol, XLogP of -6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride is sourced from PubChem (CID 23689698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).