6-methyl-3,5-dioxoheptanoic acid;silver

C8H12AgO4 — CID 159846801

IUPAC6-methyl-3,5-dioxoheptanoic acid;silver
SMILESCC(C)C(=O)CC(=O)CC(=O)O.[Ag]
InChIInChI=1S/C8H12O4.Ag/c1-5(2)7(10)3-6(9)4-8(11)12;/h5H,3-4H2,1-2H3,(H,11,12);
InChIKeyNPKIWMMEYDDTDT-UHFFFAOYSA-N
MW280.05 g/mol
LogP0.64
Rot. Bonds5

About 6-methyl-3,5-dioxoheptanoic acid;silver

6-methyl-3,5-dioxoheptanoic acid;silver (PubChem CID 159846801) has the molecular formula C8H12AgO4 and a molecular weight of 280.05 g/mol. Its IUPAC name is 6-methyl-3,5-dioxoheptanoic acid;silver.

Molecular Properties

Compound Name6-methyl-3,5-dioxoheptanoic acid;silver
PubChem CID159846801
Molecular FormulaC8H12AgO4
Molecular Weight280.05 g/mol
Exact Mass278.98
IUPAC Name6-methyl-3,5-dioxoheptanoic acid;silver
SMILESCC(C)C(=O)CC(=O)CC(=O)O.[Ag]
InChIInChI=1S/C8H12O4.Ag/c1-5(2)7(10)3-6(9)4-8(11)12;/h5H,3-4H2,1-2H3,(H,11,12);
InChIKeyNPKIWMMEYDDTDT-UHFFFAOYSA-N
XLogP0.64
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-methyl-3,5-dioxoheptanoic acid;silver 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

copper 5-methylhexane-2,4-dione
CID 54598918
5-methyl-3,7-dioxononanedioic acid
CID 23344572
3-methyl-2-oxobutane-1-sulfonic acid;bis(4-methyl-3-oxopentanoic acid)
CID 157461976
ethyl 6-methyl-3,5-dioxoheptanoate
CID 162481991
hydrazine;3-oxopentanedioic acid
CID 175290399
bis(5-methyl-2,4-dioxohexanoic acid);ruthenium
CID 155643554
2-methyldecane-3,5-dione
CID 62875136
2,6-dimethylheptane-3,5-dione;pentane-2,4-dione
CID 159905404
3,5,7-trioxononanoic acid
CID 71399755
2-methyldodecane-3,5-dione
CID 62875134
4-(1-hydroxyethylamino)-3-oxobutanoic acid
CID 88752581
4-amino-3-oxopentanoic acid
CID 134247354

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-dioxoheptanoic acid;silver?
The IUPAC name of 6-methyl-3,5-dioxoheptanoic acid;silver (CID 159846801) is 6-methyl-3,5-dioxoheptanoic acid;silver.
What is the SMILES notation for 6-methyl-3,5-dioxoheptanoic acid;silver?
The canonical SMILES for 6-methyl-3,5-dioxoheptanoic acid;silver is CC(C)C(=O)CC(=O)CC(=O)O.[Ag].
What is the InChIKey of 6-methyl-3,5-dioxoheptanoic acid;silver?
The InChIKey is NPKIWMMEYDDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.Ag/c1-5(2)7(10)3-6(9)4-8(11)12;/h5H,3-4H2,1-2H3,(H,11,12);.
What are the key properties of 6-methyl-3,5-dioxoheptanoic acid;silver?
6-methyl-3,5-dioxoheptanoic acid;silver has a molecular weight of 280.05 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-dioxoheptanoic acid;silver is sourced from PubChem (CID 159846801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).