potassium 3-methylbutan-2-olate

C5H11KO — CID 23689002

IUPACpotassium 3-methylbutan-2-olate
SMILESCC(C)C(C)[O-].[K+]
InChIInChI=1S/C5H11O.K/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1
InChIKeyDMERGXDBCIXRCA-UHFFFAOYSA-N
MW126.24 g/mol
LogP-2.60
Rot. Bonds1

About potassium 3-methylbutan-2-olate

potassium 3-methylbutan-2-olate (PubChem CID 23689002) has the molecular formula C5H11KO and a molecular weight of 126.24 g/mol. Its IUPAC name is potassium 3-methylbutan-2-olate.

Molecular Properties

Compound Namepotassium 3-methylbutan-2-olate
PubChem CID23689002
Molecular FormulaC5H11KO
Molecular Weight126.24 g/mol
Exact Mass126.04
IUPAC Namepotassium 3-methylbutan-2-olate
SMILESCC(C)C(C)[O-].[K+]
InChIInChI=1S/C5H11O.K/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1
InChIKeyDMERGXDBCIXRCA-UHFFFAOYSA-N
XLogP-2.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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, 2-methoxy-3-methyl-
CID 547676
1,2-Dimethylpropyl methyl ether
CID 59039402
Natrium-isopropylalkoholat
CID 23691797
Potassium 1-methylpropoxide
CID 23694743
Lithium 1,2-dimethylpropoxide
CID 23694751
Potassium 3,3-dimethylbutan-2-olate
CID 134896869
3-Methylbutan-2-yl hypofluorite
CID 145852562
dilithium;(2R,3R)-3-methanidylbutan-2-olate
CID 23669572
3-Methylbutan-2-olate
CID 22496794
Potassium 2-methylbutan-1-olate
CID 23703563
Potassium 3-methylbutan-1-olate
CID 23712917

Frequently Asked Questions

What is the IUPAC name of potassium 3-methylbutan-2-olate?
The IUPAC name of potassium 3-methylbutan-2-olate (CID 23689002) is potassium 3-methylbutan-2-olate.
What is the SMILES notation for potassium 3-methylbutan-2-olate?
The canonical SMILES for potassium 3-methylbutan-2-olate is CC(C)C(C)[O-].[K+].
What is the InChIKey of potassium 3-methylbutan-2-olate?
The InChIKey is DMERGXDBCIXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.K/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1.
What are the key properties of potassium 3-methylbutan-2-olate?
potassium 3-methylbutan-2-olate has a molecular weight of 126.24 g/mol, XLogP of -2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methylbutan-2-olate is sourced from PubChem (CID 23689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).