potassium 3-methylbutan-1-olate

C5H11KO — CID 23712917

IUPACpotassium 3-methylbutan-1-olate
SMILESCC(C)CC[O-].[K+]
InChIInChI=1S/C5H11O.K/c1-5(2)3-4-6;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyOVOILTREBLZWIW-UHFFFAOYSA-N
MW126.24 g/mol
LogP-2.60
Rot. Bonds2

About potassium 3-methylbutan-1-olate

potassium 3-methylbutan-1-olate (PubChem CID 23712917) has the molecular formula C5H11KO and a molecular weight of 126.24 g/mol. Its IUPAC name is potassium 3-methylbutan-1-olate.

Molecular Properties

Compound Namepotassium 3-methylbutan-1-olate
PubChem CID23712917
Molecular FormulaC5H11KO
Molecular Weight126.24 g/mol
Exact Mass126.04
IUPAC Namepotassium 3-methylbutan-1-olate
SMILESCC(C)CC[O-].[K+]
InChIInChI=1S/C5H11O.K/c1-5(2)3-4-6;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyOVOILTREBLZWIW-UHFFFAOYSA-N
XLogP-2.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propanol, 2-methyl-, potassium salt (1:1)
CID 23673033
Butane, 1-methoxy-3-methyl-
CID 136445
1-Methoxy-2-methylbutane
CID 522007
Sodium isopentoxide
CID 23675635
Lithium iso pentoxide
CID 23708034
2-Butanol, 3-methyl-, potassium salt (1:1)
CID 23689002
Chloro(3-methylbutan-1-olato)magnesium
CID 113485
(S)-1-methoxy-2-methyl-butane
CID 59954514
2,3-Dimethylbutyl hypofluorite
CID 143791651
2-Methylbutyl hypofluorite
CID 144526012
3-Methylbutyl hypofluorite
CID 175764024
Methyl 2-methylbutyl ether
CID 54468195

Frequently Asked Questions

What is the IUPAC name of potassium 3-methylbutan-1-olate?
The IUPAC name of potassium 3-methylbutan-1-olate (CID 23712917) is potassium 3-methylbutan-1-olate.
What is the SMILES notation for potassium 3-methylbutan-1-olate?
The canonical SMILES for potassium 3-methylbutan-1-olate is CC(C)CC[O-].[K+].
What is the InChIKey of potassium 3-methylbutan-1-olate?
The InChIKey is OVOILTREBLZWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.K/c1-5(2)3-4-6;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of potassium 3-methylbutan-1-olate?
potassium 3-methylbutan-1-olate has a molecular weight of 126.24 g/mol, XLogP of -2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methylbutan-1-olate is sourced from PubChem (CID 23712917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).