acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium

C18H20N2O4Pd — CID 134991111

IUPACacetic acid;2,9-dimethyl-1,10-phenanthroline;palladium
SMILESCC(=O)O.CC(=O)O.Cc1ccc2ccc3ccc(C)nc3c2n1.[Pd]
InChIInChI=1S/C14H12N2.2C2H4O2.Pd/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*1-2(3)4;/h3-8H,1-2H3;2*1H3,(H,3,4);
InChIKeyKKPSVWFPLZVUSZ-UHFFFAOYSA-N
MW434.79 g/mol
LogP3.58
Rot. Bonds

About acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium

acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium (PubChem CID 134991111) has the molecular formula C18H20N2O4Pd and a molecular weight of 434.79 g/mol. Its IUPAC name is acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium.

Molecular Properties

Compound Nameacetic acid;2,9-dimethyl-1,10-phenanthroline;palladium
PubChem CID134991111
Molecular FormulaC18H20N2O4Pd
Molecular Weight434.79 g/mol
Exact Mass434.05
IUPAC Nameacetic acid;2,9-dimethyl-1,10-phenanthroline;palladium
SMILESCC(=O)O.CC(=O)O.Cc1ccc2ccc3ccc(C)nc3c2n1.[Pd]
InChIInChI=1S/C14H12N2.2C2H4O2.Pd/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*1-2(3)4;/h3-8H,1-2H3;2*1H3,(H,3,4);
InChIKeyKKPSVWFPLZVUSZ-UHFFFAOYSA-N
XLogP3.58
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
2,9-Bis(bromomethyl)-1,10-phenanthroline
CID 353741
1,10-Phenanthroline, 2,9-dimethyl-, hydrochloride (1:1)
CID 81718
2,9-Dimethyl-1,10-phenanthroline monohydrochloride hydrate
CID 2723838
2,9-Dimethyl-1,10-phenanthroline hydrate
CID 16211234
copper(I) bis(2,9-dimethyl-1,10-phenanthroline)
CID 167999
1,10-Phenanthroline, perchlorate (1:1)
CID 88938
2,9-Diethyl-1,10-phenanthroline
CID 354074
2,3,4,7,8,9-Hexamethyl-1,10-Phenanthroline
CID 379762
Neocuproine hemihydrate
CID 67652146
2,4,9-Trimethyl-1,10-phenanthroline
CID 86190831

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium?
The IUPAC name of acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium (CID 134991111) is acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium.
What is the SMILES notation for acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium?
The canonical SMILES for acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium is CC(=O)O.CC(=O)O.Cc1ccc2ccc3ccc(C)nc3c2n1.[Pd].
What is the InChIKey of acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium?
The InChIKey is KKPSVWFPLZVUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.2C2H4O2.Pd/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*1-2(3)4;/h3-8H,1-2H3;2*1H3,(H,3,4);.
What are the key properties of acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium?
acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium has a molecular weight of 434.79 g/mol, XLogP of 3.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,9-dimethyl-1,10-phenanthroline;palladium is sourced from PubChem (CID 134991111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).