ethane;ethyl acetate;zinc

C6H13O2Zn- — CID 158780860

IUPACethane;ethyl acetate;zinc
SMILESCCOC(C)=O.[CH2-]C.[Zn]
InChIInChI=1S/C4H8O2.C2H5.Zn/c1-3-6-4(2)5;1-2;/h3H2,1-2H3;1H2,2H3;/q;-1;
InChIKeyQMIANDXCIDQJFA-UHFFFAOYSA-N
MW182.56 g/mol
LogP1.41
Rot. Bonds1

About ethane;ethyl acetate;zinc

ethane;ethyl acetate;zinc (PubChem CID 158780860) has the molecular formula C6H13O2Zn- and a molecular weight of 182.56 g/mol. Its IUPAC name is ethane;ethyl acetate;zinc.

Molecular Properties

Compound Nameethane;ethyl acetate;zinc
PubChem CID158780860
Molecular FormulaC6H13O2Zn-
Molecular Weight182.56 g/mol
Exact Mass181.02
IUPAC Nameethane;ethyl acetate;zinc
SMILESCCOC(C)=O.[CH2-]C.[Zn]
InChIInChI=1S/C4H8O2.C2H5.Zn/c1-3-6-4(2)5;1-2;/h3H2,1-2H3;1H2,2H3;/q;-1;
InChIKeyQMIANDXCIDQJFA-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl acetate;zinc?
The IUPAC name of ethane;ethyl acetate;zinc (CID 158780860) is ethane;ethyl acetate;zinc.
What is the SMILES notation for ethane;ethyl acetate;zinc?
The canonical SMILES for ethane;ethyl acetate;zinc is CCOC(C)=O.[CH2-]C.[Zn].
What is the InChIKey of ethane;ethyl acetate;zinc?
The InChIKey is QMIANDXCIDQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H5.Zn/c1-3-6-4(2)5;1-2;/h3H2,1-2H3;1H2,2H3;/q;-1;.
What are the key properties of ethane;ethyl acetate;zinc?
ethane;ethyl acetate;zinc has a molecular weight of 182.56 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl acetate;zinc is sourced from PubChem (CID 158780860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).