heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate

C12H3K7O14 — CID 101297849

IUPACheptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate
SMILESO=C([O-])C1C(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])C1(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C12H10O14.7K/c13-4(14)1-2(5(15)16)12(9(23)24,10(25)26)3(6(17)18)11(1,7(19)20)8(21)22;;;;;;;/h1-3H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;;;;/q;7*+1/p-7
InChIKeyZGPIFCAYZYAFRT-UHFFFAOYSA-G
MW644.83 g/mol
LogP-32.90
Rot. Bonds7

About heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate

heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate (PubChem CID 101297849) has the molecular formula C12H3K7O14 and a molecular weight of 644.83 g/mol. Its IUPAC name is heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate.

Molecular Properties

Compound Nameheptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate
PubChem CID101297849
Molecular FormulaC12H3K7O14
Molecular Weight644.83 g/mol
Exact Mass643.70
IUPAC Nameheptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate
SMILESO=C([O-])C1C(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])C1(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C12H10O14.7K/c13-4(14)1-2(5(15)16)12(9(23)24,10(25)26)3(6(17)18)11(1,7(19)20)8(21)22;;;;;;;/h1-3H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;;;;/q;7*+1/p-7
InChIKeyZGPIFCAYZYAFRT-UHFFFAOYSA-G
XLogP-32.90
TPSA280.91 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.83
LogP ≤ 5-32.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

octapotassium;cyclopentane-1,1,2,2,3,4,4,5-octacarboxylate
CID 101297860
diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 118988856
oxalate;rhodium(2+)
CID 22015935
tetrapotassium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297779
hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate
CID 101297816
(3S)-3-carboxy-2,2-dimethylcyclopropane-1-carboxylate
CID 59116134
(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate
CID 7057615
tetrasodium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297778
sodium 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23686973
disodium;trans-(1R,3R)-2,2-dimethyl-3-(2-methyl-1-oxidoprop-1-enyl)cyclopropane-1-carboxylate
CID 102246223
oxalate;bis(ruthenium(3+))
CID 57371303
oxalate;yttrium(3+)
CID 21124343

Frequently Asked Questions

What is the IUPAC name of heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate?
The IUPAC name of heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate (CID 101297849) is heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate.
What is the SMILES notation for heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate?
The canonical SMILES for heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate is O=C([O-])C1C(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(C(=O)[O-])C1(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate?
The InChIKey is ZGPIFCAYZYAFRT-UHFFFAOYSA-G. The full InChI is InChI=1S/C12H10O14.7K/c13-4(14)1-2(5(15)16)12(9(23)24,10(25)26)3(6(17)18)11(1,7(19)20)8(21)22;;;;;;;/h1-3H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;;;;/q;7*+1/p-7.
What are the key properties of heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate?
heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate has a molecular weight of 644.83 g/mol, XLogP of -32.90, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for heptapotassium;cyclopentane-1,1,2,3,3,4,5-heptacarboxylate is sourced from PubChem (CID 101297849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).