acetyl acetate;carbanide;gold

C6H12AuO3-2 — CID 87857087

IUPACacetyl acetate;carbanide;gold
SMILESCC(=O)OC(C)=O.[Au].[CH3-].[CH3-]
InChIInChI=1S/C4H6O3.2CH3.Au/c1-3(5)7-4(2)6;;;/h1-2H3;2*1H3;/q;2*-1;
InChIKeyYVODIRCATVIASZ-UHFFFAOYSA-N
MW329.13 g/mol
LogP0.99
Rot. Bonds

About acetyl acetate;carbanide;gold

acetyl acetate;carbanide;gold (PubChem CID 87857087) has the molecular formula C6H12AuO3-2 and a molecular weight of 329.13 g/mol. Its IUPAC name is acetyl acetate;carbanide;gold.

Molecular Properties

Compound Nameacetyl acetate;carbanide;gold
PubChem CID87857087
Molecular FormulaC6H12AuO3-2
Molecular Weight329.13 g/mol
Exact Mass329.05
IUPAC Nameacetyl acetate;carbanide;gold
SMILESCC(=O)OC(C)=O.[Au].[CH3-].[CH3-]
InChIInChI=1S/C4H6O3.2CH3.Au/c1-3(5)7-4(2)6;;;/h1-2H3;2*1H3;/q;2*-1;
InChIKeyYVODIRCATVIASZ-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
aluminum;acetyl acetate;trichloride
CID 86584360
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
acetyl acetate;bis(trifluoroborane)
CID 87483459
acetyl acetate;1,2-dichloroethane
CID 161071038
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
acetyl 2-deuterioacetate
CID 22812327

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;carbanide;gold?
The IUPAC name of acetyl acetate;carbanide;gold (CID 87857087) is acetyl acetate;carbanide;gold.
What is the SMILES notation for acetyl acetate;carbanide;gold?
The canonical SMILES for acetyl acetate;carbanide;gold is CC(=O)OC(C)=O.[Au].[CH3-].[CH3-].
What is the InChIKey of acetyl acetate;carbanide;gold?
The InChIKey is YVODIRCATVIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.2CH3.Au/c1-3(5)7-4(2)6;;;/h1-2H3;2*1H3;/q;2*-1;.
What are the key properties of acetyl acetate;carbanide;gold?
acetyl acetate;carbanide;gold has a molecular weight of 329.13 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;carbanide;gold is sourced from PubChem (CID 87857087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).