potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C6H9KO4 — CID 23678351

IUPACpotassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OC[C@@H](C(=O)[O-])O1.[K+]
InChIInChI=1S/C6H10O4.K/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyZOISWEHAOHFWAH-WCCKRBBISA-M
MW184.23 g/mol
LogP-4.11
Rot. Bonds1

About potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 23678351) has the molecular formula C6H9KO4 and a molecular weight of 184.23 g/mol. Its IUPAC name is potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namepotassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID23678351
Molecular FormulaC6H9KO4
Molecular Weight184.23 g/mol
Exact Mass184.01
IUPAC Namepotassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OC[C@@H](C(=O)[O-])O1.[K+]
InChIInChI=1S/C6H10O4.K/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyZOISWEHAOHFWAH-WCCKRBBISA-M
XLogP-4.11
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-4.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 23678351) is potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1(C)OC[C@@H](C(=O)[O-])O1.[K+].
What is the InChIKey of potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is ZOISWEHAOHFWAH-WCCKRBBISA-M. The full InChI is InChI=1S/C6H10O4.K/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1.
What are the key properties of potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 184.23 g/mol, XLogP of -4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 23678351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).