dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate

C8H6K2O4 — CID 67907901

IUPACdipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate
SMILESO=C([O-])C1C=CC=CC1C(=O)[O-].[K+].[K+]
InChIInChI=1S/C8H8O4.2K/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-6H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeySWXDGZYFUHFQFT-UHFFFAOYSA-L
MW244.33 g/mol
LogP-8.15
Rot. Bonds2

About dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate

dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate (PubChem CID 67907901) has the molecular formula C8H6K2O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate
PubChem CID67907901
Molecular FormulaC8H6K2O4
Molecular Weight244.33 g/mol
Exact Mass243.95
IUPAC Namedipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate
SMILESO=C([O-])C1C=CC=CC1C(=O)[O-].[K+].[K+]
InChIInChI=1S/C8H8O4.2K/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-6H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeySWXDGZYFUHFQFT-UHFFFAOYSA-L
XLogP-8.15
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-8.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dihydrophthalic acid
CID 89904
1-Fluorocyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 22283775
Cyclobut-3-ene-1,2-dicarboxylate
CID 134887160
Dimethyl cyclohexa-3,5-diene-1,2-dicarboxylate
CID 12257161
dimethyl (1R,2R)-cyclohexa-3,5-diene-1,2-dicarboxylate
CID 12257162
dimethyl (1R,2S)-cyclohexa-3,5-diene-1,2-dicarboxylate
CID 12257163
trans-Dihydrophthalic Acid
CID 12257173
dimethyl (1S,2S)-cyclohexa-3,5-diene-1,2-dicarboxylate
CID 12829691
Pentasodium;cyclohexa-3,5-diene-1,2-dicarboxylate;borate
CID 70450909
Hexenyl succinic acid dipotassium salt
CID 131720829
Cyclohexa-3,5-diene-1,2-dicarboxylic acid;hydrate
CID 158363530
Tripotassium;1-sulfonatocyclohexa-3,5-diene-1,2-dicarboxylate
CID 159867887

Frequently Asked Questions

What is the IUPAC name of dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate?
The IUPAC name of dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate (CID 67907901) is dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate.
What is the SMILES notation for dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate?
The canonical SMILES for dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate is O=C([O-])C1C=CC=CC1C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate?
The InChIKey is SWXDGZYFUHFQFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8O4.2K/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-6H,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate?
dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate has a molecular weight of 244.33 g/mol, XLogP of -8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;cyclohexa-3,5-diene-1,2-dicarboxylate is sourced from PubChem (CID 67907901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).