zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)

C22H30O6Zn — CID 10366770

IUPACzinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)
SMILESCCOC(C)Oc1[c-]c(OC)ccc1.CCOC(C)Oc1[c-]c(OC)ccc1.[Zn+2]
InChIInChI=1S/2C11H15O3.Zn/c2*1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h2*5-7,9H,4H2,1-3H3;/q2*-1;+2
InChIKeyJTGLWIAPTKWPGB-UHFFFAOYSA-N
MW455.87 g/mol
LogP4.51
Rot. Bonds10

About zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)

zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide) (PubChem CID 10366770) has the molecular formula C22H30O6Zn and a molecular weight of 455.87 g/mol. Its IUPAC name is zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide).

Molecular Properties

Compound Namezinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)
PubChem CID10366770
Molecular FormulaC22H30O6Zn
Molecular Weight455.87 g/mol
Exact Mass454.13
IUPAC Namezinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)
SMILESCCOC(C)Oc1[c-]c(OC)ccc1.CCOC(C)Oc1[c-]c(OC)ccc1.[Zn+2]
InChIInChI=1S/2C11H15O3.Zn/c2*1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h2*5-7,9H,4H2,1-3H3;/q2*-1;+2
InChIKeyJTGLWIAPTKWPGB-UHFFFAOYSA-N
XLogP4.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 54.51
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)?
The IUPAC name of zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide) (CID 10366770) is zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide).
What is the SMILES notation for zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)?
The canonical SMILES for zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide) is CCOC(C)Oc1[c-]c(OC)ccc1.CCOC(C)Oc1[c-]c(OC)ccc1.[Zn+2].
What is the InChIKey of zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)?
The InChIKey is JTGLWIAPTKWPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15O3.Zn/c2*1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h2*5-7,9H,4H2,1-3H3;/q2*-1;+2.
What are the key properties of zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide)?
zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide) has a molecular weight of 455.87 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide) is sourced from PubChem (CID 10366770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).