zinc;2-ethylhexanoate;2-ethylhexanoic acid

C16H31O4Zn+ — CID 165000820

IUPACzinc;2-ethylhexanoate;2-ethylhexanoic acid
SMILESCCCCC(CC)C(=O)O.CCCCC(CC)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-1
InChIKeyIFNXAMCERSVZCV-UHFFFAOYSA-M
MW352.81 g/mol
LogP3.24
Rot. Bonds10

About zinc;2-ethylhexanoate;2-ethylhexanoic acid

zinc;2-ethylhexanoate;2-ethylhexanoic acid (PubChem CID 165000820) has the molecular formula C16H31O4Zn+ and a molecular weight of 352.81 g/mol. Its IUPAC name is zinc;2-ethylhexanoate;2-ethylhexanoic acid.

Molecular Properties

Compound Namezinc;2-ethylhexanoate;2-ethylhexanoic acid
PubChem CID165000820
Molecular FormulaC16H31O4Zn+
Molecular Weight352.81 g/mol
Exact Mass351.15
IUPAC Namezinc;2-ethylhexanoate;2-ethylhexanoic acid
SMILESCCCCC(CC)C(=O)O.CCCCC(CC)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-1
InChIKeyIFNXAMCERSVZCV-UHFFFAOYSA-M
XLogP3.24
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cerium(3+);tris(2-ethylhexanoate);2-ethylhexanoic acid
CID 172697860
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
gallium 2-ethylhexanoate
CID 21118224
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
2-ethylhexanoate;tin(2+)
CID 23616604
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651
2-ethylhexanoic acid;palladium(2+)
CID 18629949

Frequently Asked Questions

What is the IUPAC name of zinc;2-ethylhexanoate;2-ethylhexanoic acid?
The IUPAC name of zinc;2-ethylhexanoate;2-ethylhexanoic acid (CID 165000820) is zinc;2-ethylhexanoate;2-ethylhexanoic acid.
What is the SMILES notation for zinc;2-ethylhexanoate;2-ethylhexanoic acid?
The canonical SMILES for zinc;2-ethylhexanoate;2-ethylhexanoic acid is CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc;2-ethylhexanoate;2-ethylhexanoic acid?
The InChIKey is IFNXAMCERSVZCV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-1.
What are the key properties of zinc;2-ethylhexanoate;2-ethylhexanoic acid?
zinc;2-ethylhexanoate;2-ethylhexanoic acid has a molecular weight of 352.81 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-ethylhexanoate;2-ethylhexanoic acid is sourced from PubChem (CID 165000820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).