potassium 4,4-dimethylpentan-1-olate

C7H15KO — CID 175567265

IUPACpotassium 4,4-dimethylpentan-1-olate
SMILESCC(C)(C)CCC[O-].[K+]
InChIInChI=1S/C7H15O.K/c1-7(2,3)5-4-6-8;/h4-6H2,1-3H3;/q-1;+1
InChIKeyZPRBNWQRXLIJDU-UHFFFAOYSA-N
MW154.29 g/mol
LogP-1.82
Rot. Bonds2

About potassium 4,4-dimethylpentan-1-olate

potassium 4,4-dimethylpentan-1-olate (PubChem CID 175567265) has the molecular formula C7H15KO and a molecular weight of 154.29 g/mol. Its IUPAC name is potassium 4,4-dimethylpentan-1-olate.

Molecular Properties

Compound Namepotassium 4,4-dimethylpentan-1-olate
PubChem CID175567265
Molecular FormulaC7H15KO
Molecular Weight154.29 g/mol
Exact Mass154.08
IUPAC Namepotassium 4,4-dimethylpentan-1-olate
SMILESCC(C)(C)CCC[O-].[K+]
InChIInChI=1S/C7H15O.K/c1-7(2,3)5-4-6-8;/h4-6H2,1-3H3;/q-1;+1
InChIKeyZPRBNWQRXLIJDU-UHFFFAOYSA-N
XLogP-1.82
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.29
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze potassium 4,4-dimethylpentan-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 4,4-dimethylpentan-1-olate?
The IUPAC name of potassium 4,4-dimethylpentan-1-olate (CID 175567265) is potassium 4,4-dimethylpentan-1-olate.
What is the SMILES notation for potassium 4,4-dimethylpentan-1-olate?
The canonical SMILES for potassium 4,4-dimethylpentan-1-olate is CC(C)(C)CCC[O-].[K+].
What is the InChIKey of potassium 4,4-dimethylpentan-1-olate?
The InChIKey is ZPRBNWQRXLIJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.K/c1-7(2,3)5-4-6-8;/h4-6H2,1-3H3;/q-1;+1.
What are the key properties of potassium 4,4-dimethylpentan-1-olate?
potassium 4,4-dimethylpentan-1-olate has a molecular weight of 154.29 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,4-dimethylpentan-1-olate is sourced from PubChem (CID 175567265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).