pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate

C10H5K5O10 — CID 101297805

IUPACpentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate
SMILESO=C([O-])C1CC(C(=O)[O-])(C(=O)[O-])CC1(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C10H10O10.5K/c11-4(12)3-1-9(5(13)14,6(15)16)2-10(3,7(17)18)8(19)20;;;;;/h3H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;/q;5*+1/p-5
InChIKeyZHJQTNWKPUXCQA-UHFFFAOYSA-I
MW480.63 g/mol
LogP-22.86
Rot. Bonds5

About pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate

pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate (PubChem CID 101297805) has the molecular formula C10H5K5O10 and a molecular weight of 480.63 g/mol. Its IUPAC name is pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate.

Molecular Properties

Compound Namepentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate
PubChem CID101297805
Molecular FormulaC10H5K5O10
Molecular Weight480.63 g/mol
Exact Mass479.81
IUPAC Namepentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate
SMILESO=C([O-])C1CC(C(=O)[O-])(C(=O)[O-])CC1(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C10H10O10.5K/c11-4(12)3-1-9(5(13)14,6(15)16)2-10(3,7(17)18)8(19)20;;;;;/h3H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;/q;5*+1/p-5
InChIKeyZHJQTNWKPUXCQA-UHFFFAOYSA-I
XLogP-22.86
TPSA200.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 5-22.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R)-cyclopropane-1,1,2-tricarboxylate
CID 6923149
2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 74420491
tetrapotassium;cyclopentane-1,1,2,3-tetracarboxylate
CID 101297779
hexapotassium;cyclopentane-1,1,2,2,3,4-hexacarboxylate
CID 101297816
barium(2+);1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 158507106
calcium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 140570335
cis-(1S,3S)-3-(carboxylatoformyl)-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7054438
dipotassium;2-propyl-1,3-dioxane-5,5-dicarboxylate
CID 168866248
tris(cyclohexane-1,1-dicarboxylate);molybdenum
CID 173220469
copper cyclobutane-1,1-dicarboxylate
CID 70616002
zinc cyclobutane-1,1-dicarboxylate
CID 175896240
dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
CID 21039581

Frequently Asked Questions

What is the IUPAC name of pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate?
The IUPAC name of pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate (CID 101297805) is pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate.
What is the SMILES notation for pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate?
The canonical SMILES for pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate is O=C([O-])C1CC(C(=O)[O-])(C(=O)[O-])CC1(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate?
The InChIKey is ZHJQTNWKPUXCQA-UHFFFAOYSA-I. The full InChI is InChI=1S/C10H10O10.5K/c11-4(12)3-1-9(5(13)14,6(15)16)2-10(3,7(17)18)8(19)20;;;;;/h3H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;/q;5*+1/p-5.
What are the key properties of pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate?
pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate has a molecular weight of 480.63 g/mol, XLogP of -22.86, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate is sourced from PubChem (CID 101297805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).