hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate

C11H4K6O12 — CID 101297816

IUPAChexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate
SMILESO=C([O-])C1CC(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C11H10O12.6K/c12-4(13)2-1-10(6(16)17,7(18)19)11(8(20)21,9(22)23)3(2)5(14)15;;;;;;/h2-3H,1H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23);;;;;;/q;6*+1/p-6
InChIKeyQOHLTXBFIUYJHZ-UHFFFAOYSA-H
MW562.73 g/mol
LogP-27.88
Rot. Bonds6

About hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate

hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate (PubChem CID 101297816) has the molecular formula C11H4K6O12 and a molecular weight of 562.73 g/mol. Its IUPAC name is hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate.

Molecular Properties

Compound Namehexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate
PubChem CID101297816
Molecular FormulaC11H4K6O12
Molecular Weight562.73 g/mol
Exact Mass561.75
IUPAC Namehexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate
SMILESO=C([O-])C1CC(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C11H10O12.6K/c12-4(13)2-1-10(6(16)17,7(18)19)11(8(20)21,9(22)23)3(2)5(14)15;;;;;;/h2-3H,1H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23);;;;;;/q;6*+1/p-6
InChIKeyQOHLTXBFIUYJHZ-UHFFFAOYSA-H
XLogP-27.88
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 5-27.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tetrapotassium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297779
tetrasodium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297778
(2R)-cyclopropane-1,1,2-tricarboxylate
CID 6923149
heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate
CID 101297849
octapotassium;cyclopentane-1,1,2,2,3,4,4,5-octacarboxylate
CID 101297860
pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate
CID 101297805
potassium (2R)-oxirane-2-carboxylate
CID 23708734
sodium cis-(1S,2S)-2-fluorocyclopropane-1-carboxylate
CID 67083304
diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 118988856
oxalate;rhodium(2+)
CID 22015935
2,5-dimethylcyclohexane-1,4-dicarboxylate
CID 21247464
cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 27443852

Frequently Asked Questions

What is the IUPAC name of hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate?
The IUPAC name of hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate (CID 101297816) is hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate.
What is the SMILES notation for hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate?
The canonical SMILES for hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate is O=C([O-])C1CC(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate?
The InChIKey is QOHLTXBFIUYJHZ-UHFFFAOYSA-H. The full InChI is InChI=1S/C11H10O12.6K/c12-4(13)2-1-10(6(16)17,7(18)19)11(8(20)21,9(22)23)3(2)5(14)15;;;;;;/h2-3H,1H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23);;;;;;/q;6*+1/p-6.
What are the key properties of hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate?
hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate has a molecular weight of 562.73 g/mol, XLogP of -27.88, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate is sourced from PubChem (CID 101297816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).