tert-butyl acetate;chlorozinc(1+)

C6H11ClO2Zn — CID 24722599

IUPACtert-butyl acetate;chlorozinc(1+)
SMILESCl[Zn+].[CH2-]C(=O)OC(C)(C)C
InChIInChI=1S/C6H11O2.ClH.Zn/c1-5(7)8-6(2,3)4;;/h1H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyMWRBWPQBGGARAY-UHFFFAOYSA-M
MW215.99 g/mol
LogP1.85
Rot. Bonds

About tert-butyl acetate;chlorozinc(1+)

tert-butyl acetate;chlorozinc(1+) (PubChem CID 24722599) has the molecular formula C6H11ClO2Zn and a molecular weight of 215.99 g/mol. Its IUPAC name is tert-butyl acetate;chlorozinc(1+).

Molecular Properties

Compound Nametert-butyl acetate;chlorozinc(1+)
PubChem CID24722599
Molecular FormulaC6H11ClO2Zn
Molecular Weight215.99 g/mol
Exact Mass213.97
IUPAC Nametert-butyl acetate;chlorozinc(1+)
SMILESCl[Zn+].[CH2-]C(=O)OC(C)(C)C
InChIInChI=1S/C6H11O2.ClH.Zn/c1-5(7)8-6(2,3)4;;/h1H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyMWRBWPQBGGARAY-UHFFFAOYSA-M
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.99
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl acetate;chlorozinc(1+)?
The IUPAC name of tert-butyl acetate;chlorozinc(1+) (CID 24722599) is tert-butyl acetate;chlorozinc(1+).
What is the SMILES notation for tert-butyl acetate;chlorozinc(1+)?
The canonical SMILES for tert-butyl acetate;chlorozinc(1+) is Cl[Zn+].[CH2-]C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl acetate;chlorozinc(1+)?
The InChIKey is MWRBWPQBGGARAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O2.ClH.Zn/c1-5(7)8-6(2,3)4;;/h1H2,2-4H3;1H;/q-1;;+2/p-1.
What are the key properties of tert-butyl acetate;chlorozinc(1+)?
tert-butyl acetate;chlorozinc(1+) has a molecular weight of 215.99 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl acetate;chlorozinc(1+) is sourced from PubChem (CID 24722599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).