potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate

C10H15KO3 — CID 23679227

IUPACpotassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
SMILESCC1(C)C2CCC(C(=O)[O-])(C2)C1O.[K+]
InChIInChI=1S/C10H16O3.K/c1-9(2)6-3-4-10(5-6,7(9)11)8(12)13;/h6-7,11H,3-5H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyUFIWBABLZWTLAE-UHFFFAOYSA-M
MW222.32 g/mol
LogP-3.07
Rot. Bonds1

About potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate

potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 23679227) has the molecular formula C10H15KO3 and a molecular weight of 222.32 g/mol. Its IUPAC name is potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

Compound Namepotassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
PubChem CID23679227
Molecular FormulaC10H15KO3
Molecular Weight222.32 g/mol
Exact Mass222.07
IUPAC Namepotassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
SMILESCC1(C)C2CCC(C(=O)[O-])(C2)C1O.[K+]
InChIInChI=1S/C10H16O3.K/c1-9(2)6-3-4-10(5-6,7(9)11)8(12)13;/h6-7,11H,3-5H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyUFIWBABLZWTLAE-UHFFFAOYSA-M
XLogP-3.07
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
The IUPAC name of potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate (CID 23679227) is potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate.
What is the SMILES notation for potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
The canonical SMILES for potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate is CC1(C)C2CCC(C(=O)[O-])(C2)C1O.[K+].
What is the InChIKey of potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
The InChIKey is UFIWBABLZWTLAE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O3.K/c1-9(2)6-3-4-10(5-6,7(9)11)8(12)13;/h6-7,11H,3-5H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 222.32 g/mol, XLogP of -3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 23679227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).