potassium 2,2-dimethylbutan-1-olate

C6H13KO — CID 87821527

IUPACpotassium 2,2-dimethylbutan-1-olate
SMILESCCC(C)(C)C[O-].[K+]
InChIInChI=1S/C6H13O.K/c1-4-6(2,3)5-7;/h4-5H2,1-3H3;/q-1;+1
InChIKeyIVTVZZPXQYQXDS-UHFFFAOYSA-N
MW140.27 g/mol
LogP-2.21
Rot. Bonds2

About potassium 2,2-dimethylbutan-1-olate

potassium 2,2-dimethylbutan-1-olate (PubChem CID 87821527) has the molecular formula C6H13KO and a molecular weight of 140.27 g/mol. Its IUPAC name is potassium 2,2-dimethylbutan-1-olate.

Molecular Properties

Compound Namepotassium 2,2-dimethylbutan-1-olate
PubChem CID87821527
Molecular FormulaC6H13KO
Molecular Weight140.27 g/mol
Exact Mass140.06
IUPAC Namepotassium 2,2-dimethylbutan-1-olate
SMILESCCC(C)(C)C[O-].[K+]
InChIInChI=1S/C6H13O.K/c1-4-6(2,3)5-7;/h4-5H2,1-3H3;/q-1;+1
InChIKeyIVTVZZPXQYQXDS-UHFFFAOYSA-N
XLogP-2.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
3,3-dimethylpentane;ethane;methanol
CID 144527462
dilithium;carbanide;2,2-dimethylhexan-1-olate
CID 135006496
potassium ethanolate
CID 23670592
3,3-dimethylhexane
CID 11233
magnesium;2,2-dimethylpropane;ethanolate
CID 174810473
azanium 2,2-dimethylpropan-1-olate
CID 87423473
3,3-dimethylpentane;tris(nitric acid)
CID 173399914

Frequently Asked Questions

What is the IUPAC name of potassium 2,2-dimethylbutan-1-olate?
The IUPAC name of potassium 2,2-dimethylbutan-1-olate (CID 87821527) is potassium 2,2-dimethylbutan-1-olate.
What is the SMILES notation for potassium 2,2-dimethylbutan-1-olate?
The canonical SMILES for potassium 2,2-dimethylbutan-1-olate is CCC(C)(C)C[O-].[K+].
What is the InChIKey of potassium 2,2-dimethylbutan-1-olate?
The InChIKey is IVTVZZPXQYQXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.K/c1-4-6(2,3)5-7;/h4-5H2,1-3H3;/q-1;+1.
What are the key properties of potassium 2,2-dimethylbutan-1-olate?
potassium 2,2-dimethylbutan-1-olate has a molecular weight of 140.27 g/mol, XLogP of -2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-dimethylbutan-1-olate is sourced from PubChem (CID 87821527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).