potassium;ethylcyclohexane;propanedioic acid

C11H19KO4 — CID 175224947

IUPACpotassium;ethylcyclohexane;propanedioic acid
SMILESO=C(O)CC(=O)O.[CH2-]CC1CCCCC1.[K+]
InChIInChI=1S/C8H15.C3H4O4.K/c1-2-8-6-4-3-5-7-8;4-2(5)1-3(6)7;/h8H,1-7H2;1H2,(H,4,5)(H,6,7);/q-1;;+1
InChIKeyVRZHVARCFZNPCH-UHFFFAOYSA-N
MW254.37 g/mol
LogP-0.66
Rot. Bonds3

About potassium;ethylcyclohexane;propanedioic acid

potassium;ethylcyclohexane;propanedioic acid (PubChem CID 175224947) has the molecular formula C11H19KO4 and a molecular weight of 254.37 g/mol. Its IUPAC name is potassium;ethylcyclohexane;propanedioic acid.

Molecular Properties

Compound Namepotassium;ethylcyclohexane;propanedioic acid
PubChem CID175224947
Molecular FormulaC11H19KO4
Molecular Weight254.37 g/mol
Exact Mass254.09
IUPAC Namepotassium;ethylcyclohexane;propanedioic acid
SMILESO=C(O)CC(=O)O.[CH2-]CC1CCCCC1.[K+]
InChIInChI=1S/C8H15.C3H4O4.K/c1-2-8-6-4-3-5-7-8;4-2(5)1-3(6)7;/h8H,1-7H2;1H2,(H,4,5)(H,6,7);/q-1;;+1
InChIKeyVRZHVARCFZNPCH-UHFFFAOYSA-N
XLogP-0.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethylcyclohexane;neptunium
CID 163637039
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
azane;2-cyclohexylacetic acid;iron
CID 67746719
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
carbonic acid;cyclohexylmethanamine
CID 67545146
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750

Frequently Asked Questions

What is the IUPAC name of potassium;ethylcyclohexane;propanedioic acid?
The IUPAC name of potassium;ethylcyclohexane;propanedioic acid (CID 175224947) is potassium;ethylcyclohexane;propanedioic acid.
What is the SMILES notation for potassium;ethylcyclohexane;propanedioic acid?
The canonical SMILES for potassium;ethylcyclohexane;propanedioic acid is O=C(O)CC(=O)O.[CH2-]CC1CCCCC1.[K+].
What is the InChIKey of potassium;ethylcyclohexane;propanedioic acid?
The InChIKey is VRZHVARCFZNPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.C3H4O4.K/c1-2-8-6-4-3-5-7-8;4-2(5)1-3(6)7;/h8H,1-7H2;1H2,(H,4,5)(H,6,7);/q-1;;+1.
What are the key properties of potassium;ethylcyclohexane;propanedioic acid?
potassium;ethylcyclohexane;propanedioic acid has a molecular weight of 254.37 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethylcyclohexane;propanedioic acid is sourced from PubChem (CID 175224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).