potassium 3,3-dimethylbutan-2-olate

C6H13KO — CID 134896869

IUPACpotassium 3,3-dimethylbutan-2-olate
SMILESCC([O-])C(C)(C)C.[K+]
InChIInChI=1S/C6H13O.K/c1-5(7)6(2,3)4;/h5H,1-4H3;/q-1;+1
InChIKeyTXFDWRYWHFWGDU-UHFFFAOYSA-N
MW140.27 g/mol
LogP-2.21
Rot. Bonds

About potassium 3,3-dimethylbutan-2-olate

potassium 3,3-dimethylbutan-2-olate (PubChem CID 134896869) has the molecular formula C6H13KO and a molecular weight of 140.27 g/mol. Its IUPAC name is potassium 3,3-dimethylbutan-2-olate.

Molecular Properties

Compound Namepotassium 3,3-dimethylbutan-2-olate
PubChem CID134896869
Molecular FormulaC6H13KO
Molecular Weight140.27 g/mol
Exact Mass140.06
IUPAC Namepotassium 3,3-dimethylbutan-2-olate
SMILESCC([O-])C(C)(C)C.[K+]
InChIInChI=1S/C6H13O.K/c1-5(7)6(2,3)4;/h5H,1-4H3;/q-1;+1
InChIKeyTXFDWRYWHFWGDU-UHFFFAOYSA-N
XLogP-2.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 3,3-dimethylbutan-2-olate?
The IUPAC name of potassium 3,3-dimethylbutan-2-olate (CID 134896869) is potassium 3,3-dimethylbutan-2-olate.
What is the SMILES notation for potassium 3,3-dimethylbutan-2-olate?
The canonical SMILES for potassium 3,3-dimethylbutan-2-olate is CC([O-])C(C)(C)C.[K+].
What is the InChIKey of potassium 3,3-dimethylbutan-2-olate?
The InChIKey is TXFDWRYWHFWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.K/c1-5(7)6(2,3)4;/h5H,1-4H3;/q-1;+1.
What are the key properties of potassium 3,3-dimethylbutan-2-olate?
potassium 3,3-dimethylbutan-2-olate has a molecular weight of 140.27 g/mol, XLogP of -2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,3-dimethylbutan-2-olate is sourced from PubChem (CID 134896869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).