potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene

C13H21KO — CID 160506444

IUPACpotassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene
SMILESCC(C)(C)[O-].Cc1cc(C)cc(C)c1.[K+]
InChIInChI=1S/C9H12.C4H9O.K/c1-7-4-8(2)6-9(3)5-7;1-4(2,3)5;/h4-6H,1-3H3;1-3H3;/q;-1;+1
InChIKeyQSLXBZBOAFVUQR-UHFFFAOYSA-N
MW232.41 g/mol
LogP-0.24
Rot. Bonds

About potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene

potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene (PubChem CID 160506444) has the molecular formula C13H21KO and a molecular weight of 232.41 g/mol. Its IUPAC name is potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namepotassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene
PubChem CID160506444
Molecular FormulaC13H21KO
Molecular Weight232.41 g/mol
Exact Mass232.12
IUPAC Namepotassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene
SMILESCC(C)(C)[O-].Cc1cc(C)cc(C)c1.[K+]
InChIInChI=1S/C9H12.C4H9O.K/c1-7-4-8(2)6-9(3)5-7;1-4(2,3)5;/h4-6H,1-3H3;1-3H3;/q;-1;+1
InChIKeyQSLXBZBOAFVUQR-UHFFFAOYSA-N
XLogP-0.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene?
The IUPAC name of potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene (CID 160506444) is potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene.
What is the SMILES notation for potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene?
The canonical SMILES for potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene is CC(C)(C)[O-].Cc1cc(C)cc(C)c1.[K+].
What is the InChIKey of potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene?
The InChIKey is QSLXBZBOAFVUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H9O.K/c1-7-4-8(2)6-9(3)5-7;1-4(2,3)5;/h4-6H,1-3H3;1-3H3;/q;-1;+1.
What are the key properties of potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene?
potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene has a molecular weight of 232.41 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-methylpropan-2-olate;1,3,5-trimethylbenzene is sourced from PubChem (CID 160506444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).