zinc;hexane;diacetate

C10H20O4Zn — CID 174575867

IUPACzinc;hexane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCCC.[Zn+2]
InChIInChI=1S/C6H14.2C2H4O2.Zn/c1-3-5-6-4-2;2*1-2(3)4;/h3-6H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyOFZYCMHMCMZTFP-UHFFFAOYSA-L
MW269.66 g/mol
LogP0.10
Rot. Bonds3

About zinc;hexane;diacetate

zinc;hexane;diacetate (PubChem CID 174575867) has the molecular formula C10H20O4Zn and a molecular weight of 269.66 g/mol. Its IUPAC name is zinc;hexane;diacetate.

Molecular Properties

Compound Namezinc;hexane;diacetate
PubChem CID174575867
Molecular FormulaC10H20O4Zn
Molecular Weight269.66 g/mol
Exact Mass268.07
IUPAC Namezinc;hexane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCCC.[Zn+2]
InChIInChI=1S/C6H14.2C2H4O2.Zn/c1-3-5-6-4-2;2*1-2(3)4;/h3-6H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyOFZYCMHMCMZTFP-UHFFFAOYSA-L
XLogP0.10
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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zinc;tributylphosphane;diacetate
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sodium;octan-1-ol;acetate
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zinc;cobalt(2+);bis(octadecanoate)
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ethane;hexane;dicarbonate;hydrate
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CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of zinc;hexane;diacetate?
The IUPAC name of zinc;hexane;diacetate (CID 174575867) is zinc;hexane;diacetate.
What is the SMILES notation for zinc;hexane;diacetate?
The canonical SMILES for zinc;hexane;diacetate is CC(=O)[O-].CC(=O)[O-].CCCCCC.[Zn+2].
What is the InChIKey of zinc;hexane;diacetate?
The InChIKey is OFZYCMHMCMZTFP-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14.2C2H4O2.Zn/c1-3-5-6-4-2;2*1-2(3)4;/h3-6H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of zinc;hexane;diacetate?
zinc;hexane;diacetate has a molecular weight of 269.66 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hexane;diacetate is sourced from PubChem (CID 174575867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).