potassium;benzoic acid;2-methylpropane

C11H15KO2 — CID 118589563

IUPACpotassium;benzoic acid;2-methylpropane
SMILESC[C-](C)C.O=C(O)c1ccccc1.[K+]
InChIInChI=1S/C7H6O2.C4H9.K/c8-7(9)6-4-2-1-3-5-6;1-4(2)3;/h1-5H,(H,8,9);1-3H3;/q;-1;+1
InChIKeyNXLVJODKIIWTHT-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.01
Rot. Bonds1

About potassium;benzoic acid;2-methylpropane

potassium;benzoic acid;2-methylpropane (PubChem CID 118589563) has the molecular formula C11H15KO2 and a molecular weight of 218.34 g/mol. Its IUPAC name is potassium;benzoic acid;2-methylpropane.

Molecular Properties

Compound Namepotassium;benzoic acid;2-methylpropane
PubChem CID118589563
Molecular FormulaC11H15KO2
Molecular Weight218.34 g/mol
Exact Mass218.07
IUPAC Namepotassium;benzoic acid;2-methylpropane
SMILESC[C-](C)C.O=C(O)c1ccccc1.[K+]
InChIInChI=1S/C7H6O2.C4H9.K/c8-7(9)6-4-2-1-3-5-6;1-4(2)3;/h1-5H,(H,8,9);1-3H3;/q;-1;+1
InChIKeyNXLVJODKIIWTHT-UHFFFAOYSA-N
XLogP0.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339
Lithium benzoate, 99%
CID 57451198
benzoic acid;ethane;ethene
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Frequently Asked Questions

What is the IUPAC name of potassium;benzoic acid;2-methylpropane?
The IUPAC name of potassium;benzoic acid;2-methylpropane (CID 118589563) is potassium;benzoic acid;2-methylpropane.
What is the SMILES notation for potassium;benzoic acid;2-methylpropane?
The canonical SMILES for potassium;benzoic acid;2-methylpropane is C[C-](C)C.O=C(O)c1ccccc1.[K+].
What is the InChIKey of potassium;benzoic acid;2-methylpropane?
The InChIKey is NXLVJODKIIWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C4H9.K/c8-7(9)6-4-2-1-3-5-6;1-4(2)3;/h1-5H,(H,8,9);1-3H3;/q;-1;+1.
What are the key properties of potassium;benzoic acid;2-methylpropane?
potassium;benzoic acid;2-methylpropane has a molecular weight of 218.34 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;benzoic acid;2-methylpropane is sourced from PubChem (CID 118589563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).