potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane

C20H40KO8+ — CID 5232581

IUPACpotassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane
SMILESC1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.[K+]
InChIInChI=1S/C12H24O6.2C4H8O.K/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;/h1-12H2;2*1-4H2;/q;;;+1
InChIKeyPOCBRQJGBKVGOB-UHFFFAOYSA-N
MW447.63 g/mol
LogP-1.30
Rot. Bonds

About potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane

potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane (PubChem CID 5232581) has the molecular formula C20H40KO8+ and a molecular weight of 447.63 g/mol. Its IUPAC name is potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane.

Molecular Properties

Compound Namepotassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane
PubChem CID5232581
Molecular FormulaC20H40KO8+
Molecular Weight447.63 g/mol
Exact Mass447.24
IUPAC Namepotassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane
SMILESC1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.[K+]
InChIInChI=1S/C12H24O6.2C4H8O.K/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;/h1-12H2;2*1-4H2;/q;;;+1
InChIKeyPOCBRQJGBKVGOB-UHFFFAOYSA-N
XLogP-1.30
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,4,7-trioxacyclotridecane
CID 118017817
potassium;oxolane;chloride
CID 172775663
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
manganese;oxolane
CID 70504486
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753

Frequently Asked Questions

What is the IUPAC name of potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane?
The IUPAC name of potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane (CID 5232581) is potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane.
What is the SMILES notation for potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane?
The canonical SMILES for potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane is C1CCOC1.C1CCOC1.C1COCCOCCOCCOCCOCCO1.[K+].
What is the InChIKey of potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane?
The InChIKey is POCBRQJGBKVGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6.2C4H8O.K/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-5-3-1;/h1-12H2;2*1-4H2;/q;;;+1.
What are the key properties of potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane?
potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane has a molecular weight of 447.63 g/mol, XLogP of -1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane is sourced from PubChem (CID 5232581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).