potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene

C13H23KO3Pd — CID 173120715

IUPACpotassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene
SMILESCC(=O)O.CC(C)(C)O.Cc1ccccc1.[H-].[K+].[Pd]
InChIInChI=1S/C7H8.C4H10O.C2H4O2.K.Pd.H/c1-7-5-3-2-4-6-7;1-4(2,3)5;1-2(3)4;;;/h2-6H,1H3;5H,1-3H3;1H3,(H,3,4);;;/q;;;+1;;-1
InChIKeyXROSJJOXSSGKPN-UHFFFAOYSA-N
MW372.84 g/mol
LogP-0.02
Rot. Bonds

About potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene

potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene (PubChem CID 173120715) has the molecular formula C13H23KO3Pd and a molecular weight of 372.84 g/mol. Its IUPAC name is potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene.

Molecular Properties

Compound Namepotassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene
PubChem CID173120715
Molecular FormulaC13H23KO3Pd
Molecular Weight372.84 g/mol
Exact Mass372.03
IUPAC Namepotassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene
SMILESCC(=O)O.CC(C)(C)O.Cc1ccccc1.[H-].[K+].[Pd]
InChIInChI=1S/C7H8.C4H10O.C2H4O2.K.Pd.H/c1-7-5-3-2-4-6-7;1-4(2,3)5;1-2(3)4;;;/h2-6H,1H3;5H,1-3H3;1H3,(H,3,4);;;/q;;;+1;;-1
InChIKeyXROSJJOXSSGKPN-UHFFFAOYSA-N
XLogP-0.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene with MolForge

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

Launch Full Analysis

Related Compounds

acetic acid;benzene;ethane;toluene
CID 90764441
acetic acid;toluene;hydrate
CID 158738724
acetic acid;ethane;toluene;yttrium
CID 158410874
sodium;propan-2-one;toluene;hydroxide
CID 174689078
potassium;hydrogen carbonate;toluene
CID 174871430
hexakis(carbonofluoridic acid);toluene;hexahydroiodide
CID 175363769
acetic acid;guanidine;toluene
CID 160673337
icosakis(2-methylpropan-2-olate);(oxygen(2-));(titanium(4+));toluene;dodecaacetate
CID 139114774
(Z)-but-2-enedioic acid;toluene;hydrochloride
CID 174592168
ethaneperoxoic acid;toluene
CID 158922326
chloromethane;toluene
CID 178022822
benzene;toluene
CID 158487474

Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene?
The IUPAC name of potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene (CID 173120715) is potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene.
What is the SMILES notation for potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene?
The canonical SMILES for potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene is CC(=O)O.CC(C)(C)O.Cc1ccccc1.[H-].[K+].[Pd].
What is the InChIKey of potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene?
The InChIKey is XROSJJOXSSGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10O.C2H4O2.K.Pd.H/c1-7-5-3-2-4-6-7;1-4(2,3)5;1-2(3)4;;;/h2-6H,1H3;5H,1-3H3;1H3,(H,3,4);;;/q;;;+1;;-1.
What are the key properties of potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene?
potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene has a molecular weight of 372.84 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;hydride;2-methylpropan-2-ol;palladium;toluene is sourced from PubChem (CID 173120715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).