potassium 2-methylpropan-1-olate

C4H9KO — CID 23673033

IUPACpotassium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[K+]
InChIInChI=1S/C4H9O.K/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyCBMSDILKECEMOT-UHFFFAOYSA-N
MW112.21 g/mol
LogP-2.99
Rot. Bonds1

About potassium 2-methylpropan-1-olate

potassium 2-methylpropan-1-olate (PubChem CID 23673033) has the molecular formula C4H9KO and a molecular weight of 112.21 g/mol. Its IUPAC name is potassium 2-methylpropan-1-olate.

Molecular Properties

Compound Namepotassium 2-methylpropan-1-olate
PubChem CID23673033
Molecular FormulaC4H9KO
Molecular Weight112.21 g/mol
Exact Mass112.03
IUPAC Namepotassium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[K+]
InChIInChI=1S/C4H9O.K/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyCBMSDILKECEMOT-UHFFFAOYSA-N
XLogP-2.99
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.21
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, isobutyl methyl
CID 12250
Sodium isobutoxide
CID 23673704
2-Butanol, 3-methyl-, potassium salt (1:1)
CID 23689002
2-Methylpropan-1-olate
CID 3594982
CID 5489517
CID 5489517
Potassium 2,2-dimethylpropan-1-olate
CID 23675521
i-Butoxylithium
CID 23695069
2-Methylpropyl hypofluorite
CID 19001109
CID 16170461
CID 16170461
2-Methylpropyl hypochlorite
CID 20377285
Potassium 2-methylbutan-1-olate
CID 23703563
Potassium 3-methylbutan-1-olate
CID 23712917

Frequently Asked Questions

What is the IUPAC name of potassium 2-methylpropan-1-olate?
The IUPAC name of potassium 2-methylpropan-1-olate (CID 23673033) is potassium 2-methylpropan-1-olate.
What is the SMILES notation for potassium 2-methylpropan-1-olate?
The canonical SMILES for potassium 2-methylpropan-1-olate is CC(C)C[O-].[K+].
What is the InChIKey of potassium 2-methylpropan-1-olate?
The InChIKey is CBMSDILKECEMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.K/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of potassium 2-methylpropan-1-olate?
potassium 2-methylpropan-1-olate has a molecular weight of 112.21 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylpropan-1-olate is sourced from PubChem (CID 23673033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).