potassium 3,7-dimethyloctan-3-olate

C10H21KO — CID 23675099

IUPACpotassium 3,7-dimethyloctan-3-olate
SMILESCCC(C)([O-])CCCC(C)C.[K+]
InChIInChI=1S/C10H21O.K/c1-5-10(4,11)8-6-7-9(2)3;/h9H,5-8H2,1-4H3;/q-1;+1
InChIKeyRGTULLOKMOQGAQ-UHFFFAOYSA-N
MW196.37 g/mol
LogP-0.65
Rot. Bonds5

About potassium 3,7-dimethyloctan-3-olate

potassium 3,7-dimethyloctan-3-olate (PubChem CID 23675099) has the molecular formula C10H21KO and a molecular weight of 196.37 g/mol. Its IUPAC name is potassium 3,7-dimethyloctan-3-olate.

Molecular Properties

Compound Namepotassium 3,7-dimethyloctan-3-olate
PubChem CID23675099
Molecular FormulaC10H21KO
Molecular Weight196.37 g/mol
Exact Mass196.12
IUPAC Namepotassium 3,7-dimethyloctan-3-olate
SMILESCCC(C)([O-])CCCC(C)C.[K+]
InChIInChI=1S/C10H21O.K/c1-5-10(4,11)8-6-7-9(2)3;/h9H,5-8H2,1-4H3;/q-1;+1
InChIKeyRGTULLOKMOQGAQ-UHFFFAOYSA-N
XLogP-0.65
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 3,7-dimethyloctan-3-olate?
The IUPAC name of potassium 3,7-dimethyloctan-3-olate (CID 23675099) is potassium 3,7-dimethyloctan-3-olate.
What is the SMILES notation for potassium 3,7-dimethyloctan-3-olate?
The canonical SMILES for potassium 3,7-dimethyloctan-3-olate is CCC(C)([O-])CCCC(C)C.[K+].
What is the InChIKey of potassium 3,7-dimethyloctan-3-olate?
The InChIKey is RGTULLOKMOQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.K/c1-5-10(4,11)8-6-7-9(2)3;/h9H,5-8H2,1-4H3;/q-1;+1.
What are the key properties of potassium 3,7-dimethyloctan-3-olate?
potassium 3,7-dimethyloctan-3-olate has a molecular weight of 196.37 g/mol, XLogP of -0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,7-dimethyloctan-3-olate is sourced from PubChem (CID 23675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).