potassium 3,4-dihydro-2H-pyran-2-carboxylate

C6H7KO3 — CID 71758131

IUPACpotassium 3,4-dihydro-2H-pyran-2-carboxylate
SMILESO=C([O-])C1CCC=CO1.[K+]
InChIInChI=1S/C6H8O3.K/c7-6(8)5-3-1-2-4-9-5;/h2,4-5H,1,3H2,(H,7,8);/q;+1/p-1
InChIKeyNHPAEOLSRHJWKQ-UHFFFAOYSA-M
MW166.22 g/mol
LogP-3.57
Rot. Bonds1

About potassium 3,4-dihydro-2H-pyran-2-carboxylate

potassium 3,4-dihydro-2H-pyran-2-carboxylate (PubChem CID 71758131) has the molecular formula C6H7KO3 and a molecular weight of 166.22 g/mol. Its IUPAC name is potassium 3,4-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namepotassium 3,4-dihydro-2H-pyran-2-carboxylate
PubChem CID71758131
Molecular FormulaC6H7KO3
Molecular Weight166.22 g/mol
Exact Mass166.00
IUPAC Namepotassium 3,4-dihydro-2H-pyran-2-carboxylate
SMILESO=C([O-])C1CCC=CO1.[K+]
InChIInChI=1S/C6H8O3.K/c7-6(8)5-3-1-2-4-9-5;/h2,4-5H,1,3H2,(H,7,8);/q;+1/p-1
InChIKeyNHPAEOLSRHJWKQ-UHFFFAOYSA-M
XLogP-3.57
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-3.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 3,4-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of potassium 3,4-dihydro-2H-pyran-2-carboxylate (CID 71758131) is potassium 3,4-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for potassium 3,4-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for potassium 3,4-dihydro-2H-pyran-2-carboxylate is O=C([O-])C1CCC=CO1.[K+].
What is the InChIKey of potassium 3,4-dihydro-2H-pyran-2-carboxylate?
The InChIKey is NHPAEOLSRHJWKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O3.K/c7-6(8)5-3-1-2-4-9-5;/h2,4-5H,1,3H2,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 3,4-dihydro-2H-pyran-2-carboxylate?
potassium 3,4-dihydro-2H-pyran-2-carboxylate has a molecular weight of 166.22 g/mol, XLogP of -3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,4-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 71758131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).