zinc bis(2,2-dimethylpropanoate)

C10H18O4Zn — CID 19435776

IUPACzinc bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C5H10O2.Zn/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKeyHQBBDVUXOOMFQN-UHFFFAOYSA-L
MW267.64 g/mol
LogP-0.44
Rot. Bonds

About zinc bis(2,2-dimethylpropanoate)

zinc bis(2,2-dimethylpropanoate) (PubChem CID 19435776) has the molecular formula C10H18O4Zn and a molecular weight of 267.64 g/mol. Its IUPAC name is zinc bis(2,2-dimethylpropanoate).

Molecular Properties

Compound Namezinc bis(2,2-dimethylpropanoate)
PubChem CID19435776
Molecular FormulaC10H18O4Zn
Molecular Weight267.64 g/mol
Exact Mass266.05
IUPAC Namezinc bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C5H10O2.Zn/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKeyHQBBDVUXOOMFQN-UHFFFAOYSA-L
XLogP-0.44
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(2,2-dimethylpropanoate)?
The IUPAC name of zinc bis(2,2-dimethylpropanoate) (CID 19435776) is zinc bis(2,2-dimethylpropanoate).
What is the SMILES notation for zinc bis(2,2-dimethylpropanoate)?
The canonical SMILES for zinc bis(2,2-dimethylpropanoate) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(2,2-dimethylpropanoate)?
The InChIKey is HQBBDVUXOOMFQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.Zn/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2.
What are the key properties of zinc bis(2,2-dimethylpropanoate)?
zinc bis(2,2-dimethylpropanoate) has a molecular weight of 267.64 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2,2-dimethylpropanoate) is sourced from PubChem (CID 19435776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).