acetyl 2,2-dimethylpropanoate;silver

C7H12AgO3 — CID 146467098

IUPACacetyl 2,2-dimethylpropanoate;silver
SMILESCC(=O)OC(=O)C(C)(C)C.[Ag]
InChIInChI=1S/C7H12O3.Ag/c1-5(8)10-6(9)7(2,3)4;/h1-4H3;
InChIKeyCNRIOOJLJQGSAQ-UHFFFAOYSA-N
MW252.04 g/mol
LogP1.12
Rot. Bonds

About acetyl 2,2-dimethylpropanoate;silver

acetyl 2,2-dimethylpropanoate;silver (PubChem CID 146467098) has the molecular formula C7H12AgO3 and a molecular weight of 252.04 g/mol. Its IUPAC name is acetyl 2,2-dimethylpropanoate;silver.

Molecular Properties

Compound Nameacetyl 2,2-dimethylpropanoate;silver
PubChem CID146467098
Molecular FormulaC7H12AgO3
Molecular Weight252.04 g/mol
Exact Mass250.98
IUPAC Nameacetyl 2,2-dimethylpropanoate;silver
SMILESCC(=O)OC(=O)C(C)(C)C.[Ag]
InChIInChI=1S/C7H12O3.Ag/c1-5(8)10-6(9)7(2,3)4;/h1-4H3;
InChIKeyCNRIOOJLJQGSAQ-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.04
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetyl 2,2,2-trifluoroacetate;copper
CID 174842973
acetyl 2,2-diacetyl-3-oxobutanoate;zirconium
CID 87175244
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
2,2-dimethylpropanoyl 4-oxopentanoate
CID 174793048
acetic acid;acetyl 2,2,2-trifluoroacetate
CID 175408776
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl 2,2-di(propan-2-yloxy)propanoate;alumane
CID 174256381
2-chloropropanoyl 2,2-dimethylpropanoate
CID 87115965
calcium;bis(2,2-dimethylpropanoyl 3,3-dimethyl-2-oxobutanoate);hydride
CID 173290664
acetyl acetate
CID 22983192

Frequently Asked Questions

What is the IUPAC name of acetyl 2,2-dimethylpropanoate;silver?
The IUPAC name of acetyl 2,2-dimethylpropanoate;silver (CID 146467098) is acetyl 2,2-dimethylpropanoate;silver.
What is the SMILES notation for acetyl 2,2-dimethylpropanoate;silver?
The canonical SMILES for acetyl 2,2-dimethylpropanoate;silver is CC(=O)OC(=O)C(C)(C)C.[Ag].
What is the InChIKey of acetyl 2,2-dimethylpropanoate;silver?
The InChIKey is CNRIOOJLJQGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.Ag/c1-5(8)10-6(9)7(2,3)4;/h1-4H3;.
What are the key properties of acetyl 2,2-dimethylpropanoate;silver?
acetyl 2,2-dimethylpropanoate;silver has a molecular weight of 252.04 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2,2-dimethylpropanoate;silver is sourced from PubChem (CID 146467098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).