dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate

C7H8K2O4 — CID 21039581

IUPACdipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
SMILESCC1(C(=O)[O-])CC1(C)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H10O4.2K/c1-6(4(8)9)3-7(6,2)5(10)11;;/h3H2,1-2H3,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeyDRKRAEXMIRDLCR-UHFFFAOYSA-L
MW234.33 g/mol
LogP-8.09
Rot. Bonds2

About dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate

dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate (PubChem CID 21039581) has the molecular formula C7H8K2O4 and a molecular weight of 234.33 g/mol. Its IUPAC name is dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namedipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
PubChem CID21039581
Molecular FormulaC7H8K2O4
Molecular Weight234.33 g/mol
Exact Mass233.97
IUPAC Namedipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate
SMILESCC1(C(=O)[O-])CC1(C)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H10O4.2K/c1-6(4(8)9)3-7(6,2)5(10)11;;/h3H2,1-2H3,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeyDRKRAEXMIRDLCR-UHFFFAOYSA-L
XLogP-8.09
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 5-8.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-1,2-dimethylcyclopropane-1,2-dicarboxylate
CID 6976393
cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
CID 131845502
trans-(1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 7054090
barium(2+);1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 158507106
calcium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 140570335
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540
sodium 3-carboxy-1,2,2-trimethylcyclopentane-1-carboxylate
CID 23674493
cis-(1S,3S)-3-(carboxylatoformyl)-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7054438
cis-(1S,3S)-3-(bromomethyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7053976
potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate
CID 146082426
(2S,3S,5R)-2-methoxy-5-methyl-2-phenylspiro[2.2]pentane-5-carboxylate
CID 7075753
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833

Frequently Asked Questions

What is the IUPAC name of dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate?
The IUPAC name of dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate (CID 21039581) is dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate.
What is the SMILES notation for dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate?
The canonical SMILES for dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate is CC1(C(=O)[O-])CC1(C)C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate?
The InChIKey is DRKRAEXMIRDLCR-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H10O4.2K/c1-6(4(8)9)3-7(6,2)5(10)11;;/h3H2,1-2H3,(H,8,9)(H,10,11);;/q;2*+1/p-2.
What are the key properties of dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate?
dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate has a molecular weight of 234.33 g/mol, XLogP of -8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1,2-dimethylcyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 21039581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).