acetyl acetate;zinc;dihydrate

C4H10O5Zn — CID 174593639

IUPACacetyl acetate;zinc;dihydrate
SMILESCC(=O)OC(C)=O.O.O.[Zn]
InChIInChI=1S/C4H6O3.2H2O.Zn/c1-3(5)7-4(2)6;;;/h1-2H3;2*1H2;
InChIKeyMBZRBUADPSCWAO-UHFFFAOYSA-N
MW203.51 g/mol
LogP-1.56
Rot. Bonds

About acetyl acetate;zinc;dihydrate

acetyl acetate;zinc;dihydrate (PubChem CID 174593639) has the molecular formula C4H10O5Zn and a molecular weight of 203.51 g/mol. Its IUPAC name is acetyl acetate;zinc;dihydrate.

Molecular Properties

Compound Nameacetyl acetate;zinc;dihydrate
PubChem CID174593639
Molecular FormulaC4H10O5Zn
Molecular Weight203.51 g/mol
Exact Mass201.98
IUPAC Nameacetyl acetate;zinc;dihydrate
SMILESCC(=O)OC(C)=O.O.O.[Zn]
InChIInChI=1S/C4H6O3.2H2O.Zn/c1-3(5)7-4(2)6;;;/h1-2H3;2*1H2;
InChIKeyMBZRBUADPSCWAO-UHFFFAOYSA-N
XLogP-1.56
TPSA106.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.51
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063
aluminum;acetyl acetate;trichloride
CID 86584360
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
acetyl acetate;bis(trifluoroborane)
CID 87483459
prop-1-en-2-yl acetate;hydrate
CID 175309612
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
acetyl 2-deuterioacetate
CID 22812327

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;zinc;dihydrate?
The IUPAC name of acetyl acetate;zinc;dihydrate (CID 174593639) is acetyl acetate;zinc;dihydrate.
What is the SMILES notation for acetyl acetate;zinc;dihydrate?
The canonical SMILES for acetyl acetate;zinc;dihydrate is CC(=O)OC(C)=O.O.O.[Zn].
What is the InChIKey of acetyl acetate;zinc;dihydrate?
The InChIKey is MBZRBUADPSCWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.2H2O.Zn/c1-3(5)7-4(2)6;;;/h1-2H3;2*1H2;.
What are the key properties of acetyl acetate;zinc;dihydrate?
acetyl acetate;zinc;dihydrate has a molecular weight of 203.51 g/mol, XLogP of -1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;zinc;dihydrate is sourced from PubChem (CID 174593639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).