zinc bis(2-methylpropan-2-olate)

C8H18O2Zn — CID 14178434

IUPACzinc bis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
InChIInChI=1S/2C4H9O.Zn/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
InChIKeyDVGVEVPHJQJMPP-UHFFFAOYSA-N
MW211.62 g/mol
LogP0.29
Rot. Bonds

About zinc bis(2-methylpropan-2-olate)

zinc bis(2-methylpropan-2-olate) (PubChem CID 14178434) has the molecular formula C8H18O2Zn and a molecular weight of 211.62 g/mol. Its IUPAC name is zinc bis(2-methylpropan-2-olate).

Molecular Properties

Compound Namezinc bis(2-methylpropan-2-olate)
PubChem CID14178434
Molecular FormulaC8H18O2Zn
Molecular Weight211.62 g/mol
Exact Mass210.06
IUPAC Namezinc bis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
InChIInChI=1S/2C4H9O.Zn/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
InChIKeyDVGVEVPHJQJMPP-UHFFFAOYSA-N
XLogP0.29
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(2-methylpropan-2-olate)?
The IUPAC name of zinc bis(2-methylpropan-2-olate) (CID 14178434) is zinc bis(2-methylpropan-2-olate).
What is the SMILES notation for zinc bis(2-methylpropan-2-olate)?
The canonical SMILES for zinc bis(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2].
What is the InChIKey of zinc bis(2-methylpropan-2-olate)?
The InChIKey is DVGVEVPHJQJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Zn/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2.
What are the key properties of zinc bis(2-methylpropan-2-olate)?
zinc bis(2-methylpropan-2-olate) has a molecular weight of 211.62 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-methylpropan-2-olate) is sourced from PubChem (CID 14178434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).