dizinc;ethyl acetate;oxolane;dibromide

C16H30Br2O6Zn2 — CID 10240116

IUPACdizinc;ethyl acetate;oxolane;dibromide
SMILESC1CCOC1.C1CCOC1.[Br-].[Br-].[CH2-]C(=O)OCC.[CH2-]C(=O)OCC.[Zn+2].[Zn+2]
InChIInChI=1S/2C4H7O2.2C4H8O.2BrH.2Zn/c2*1-3-6-4(2)5;2*1-2-4-5-3-1;;;;/h2*2-3H2,1H3;2*1-4H2;2*1H;;/q2*-1;;;;;2*+2/p-2
InChIKeyARFOMLJDIYEQMZ-UHFFFAOYSA-L
MW609.00 g/mol
LogP-3.64
Rot. Bonds2

About dizinc;ethyl acetate;oxolane;dibromide

dizinc;ethyl acetate;oxolane;dibromide (PubChem CID 10240116) has the molecular formula C16H30Br2O6Zn2 and a molecular weight of 609.00 g/mol. Its IUPAC name is dizinc;ethyl acetate;oxolane;dibromide.

Molecular Properties

Compound Namedizinc;ethyl acetate;oxolane;dibromide
PubChem CID10240116
Molecular FormulaC16H30Br2O6Zn2
Molecular Weight609.00 g/mol
Exact Mass603.90
IUPAC Namedizinc;ethyl acetate;oxolane;dibromide
SMILESC1CCOC1.C1CCOC1.[Br-].[Br-].[CH2-]C(=O)OCC.[CH2-]C(=O)OCC.[Zn+2].[Zn+2]
InChIInChI=1S/2C4H7O2.2C4H8O.2BrH.2Zn/c2*1-3-6-4(2)5;2*1-2-4-5-3-1;;;;/h2*2-3H2,1H3;2*1-4H2;2*1H;;/q2*-1;;;;;2*+2/p-2
InChIKeyARFOMLJDIYEQMZ-UHFFFAOYSA-L
XLogP-3.64
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.00
LogP ≤ 5-3.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dizinc;ethyl acetate;oxolane;dibromide?
The IUPAC name of dizinc;ethyl acetate;oxolane;dibromide (CID 10240116) is dizinc;ethyl acetate;oxolane;dibromide.
What is the SMILES notation for dizinc;ethyl acetate;oxolane;dibromide?
The canonical SMILES for dizinc;ethyl acetate;oxolane;dibromide is C1CCOC1.C1CCOC1.[Br-].[Br-].[CH2-]C(=O)OCC.[CH2-]C(=O)OCC.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;ethyl acetate;oxolane;dibromide?
The InChIKey is ARFOMLJDIYEQMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H7O2.2C4H8O.2BrH.2Zn/c2*1-3-6-4(2)5;2*1-2-4-5-3-1;;;;/h2*2-3H2,1H3;2*1-4H2;2*1H;;/q2*-1;;;;;2*+2/p-2.
What are the key properties of dizinc;ethyl acetate;oxolane;dibromide?
dizinc;ethyl acetate;oxolane;dibromide has a molecular weight of 609.00 g/mol, XLogP of -3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;ethyl acetate;oxolane;dibromide is sourced from PubChem (CID 10240116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).