potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene

C35H68KN2O6+3 — CID 154723638

IUPACpotassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene
SMILESC1COCC[NH+]2CCOCCOCC[NH+](CCO1)CCOCCOCC2.CC(C)(C)C1=CC(C(C)(C)C)C=C1C(C)(C)C.[K+]
InChIInChI=1S/C18H36N2O6.C17H30.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;1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;/h1-18H2;10-12H,1-9H3;/q;;+1/p+2
InChIKeyKSLTXQSTCZNYSP-UHFFFAOYSA-P
MW652.04 g/mol
LogP-0.51
Rot. Bonds

About potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene

potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene (PubChem CID 154723638) has the molecular formula C35H68KN2O6+3 and a molecular weight of 652.04 g/mol. Its IUPAC name is potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene.

Molecular Properties

Compound Namepotassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene
PubChem CID154723638
Molecular FormulaC35H68KN2O6+3
Molecular Weight652.04 g/mol
Exact Mass651.47
IUPAC Namepotassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene
SMILESC1COCC[NH+]2CCOCCOCC[NH+](CCO1)CCOCCOCC2.CC(C)(C)C1=CC(C(C)(C)C)C=C1C(C)(C)C.[K+]
InChIInChI=1S/C18H36N2O6.C17H30.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;1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;/h1-18H2;10-12H,1-9H3;/q;;+1/p+2
InChIKeyKSLTXQSTCZNYSP-UHFFFAOYSA-P
XLogP-0.51
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.04
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene?
The IUPAC name of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene (CID 154723638) is potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene.
What is the SMILES notation for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene?
The canonical SMILES for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene is C1COCC[NH+]2CCOCCOCC[NH+](CCO1)CCOCCOCC2.CC(C)(C)C1=CC(C(C)(C)C)C=C1C(C)(C)C.[K+].
What is the InChIKey of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene?
The InChIKey is KSLTXQSTCZNYSP-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H36N2O6.C17H30.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;1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;/h1-18H2;10-12H,1-9H3;/q;;+1/p+2.
What are the key properties of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene?
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene has a molecular weight of 652.04 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane;2,3,5-tritert-butylcyclopenta-1,3-diene is sourced from PubChem (CID 154723638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).