potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate

C22H27KO8 — CID 23672179

IUPACpotassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate
SMILESCC(=O)[O-].[K+].c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIInChI=1S/C20H24O6.C2H4O2.K/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18;1-2(3)4;/h1-8H,9-16H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyFVHRRVANAHWDHP-UHFFFAOYSA-M
MW458.55 g/mol
LogP-1.29
Rot. Bonds

About potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate

potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate (PubChem CID 23672179) has the molecular formula C22H27KO8 and a molecular weight of 458.55 g/mol. Its IUPAC name is potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate.

Molecular Properties

Compound Namepotassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate
PubChem CID23672179
Molecular FormulaC22H27KO8
Molecular Weight458.55 g/mol
Exact Mass458.13
IUPAC Namepotassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate
SMILESCC(=O)[O-].[K+].c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2
InChIInChI=1S/C20H24O6.C2H4O2.K/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18;1-2(3)4;/h1-8H,9-16H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyFVHRRVANAHWDHP-UHFFFAOYSA-M
XLogP-1.29
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate?
The IUPAC name of potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate (CID 23672179) is potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate.
What is the SMILES notation for potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate?
The canonical SMILES for potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate is CC(=O)[O-].[K+].c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2.
What is the InChIKey of potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate?
The InChIKey is FVHRRVANAHWDHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24O6.C2H4O2.K/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18;1-2(3)4;/h1-8H,9-16H2;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate?
potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate has a molecular weight of 458.55 g/mol, XLogP of -1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate is sourced from PubChem (CID 23672179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).