bis(2-ethylhexanoate);zirconium(2+)

C16H30O4Zr — CID 13388286

IUPACbis(2-ethylhexanoate);zirconium(2+)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+2]
InChIInChI=1S/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyRIYRDRZNXDRTIL-UHFFFAOYSA-L
MW377.64 g/mol
LogP1.90
Rot. Bonds10

About bis(2-ethylhexanoate);zirconium(2+)

bis(2-ethylhexanoate);zirconium(2+) (PubChem CID 13388286) has the molecular formula C16H30O4Zr and a molecular weight of 377.64 g/mol. Its IUPAC name is bis(2-ethylhexanoate);zirconium(2+).

Molecular Properties

Compound Namebis(2-ethylhexanoate);zirconium(2+)
PubChem CID13388286
Molecular FormulaC16H30O4Zr
Molecular Weight377.64 g/mol
Exact Mass376.12
IUPAC Namebis(2-ethylhexanoate);zirconium(2+)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+2]
InChIInChI=1S/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyRIYRDRZNXDRTIL-UHFFFAOYSA-L
XLogP1.90
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
CID 170851624
tetrakis(2-ethylhexanoate);tin(4+)
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gallium 2-ethylhexanoate
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CID 21474875
tetrakis(2-ethylhexanoate);thorium(4+)
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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
decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
CID 173457056
2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexanoate);zirconium(2+)?
The IUPAC name of bis(2-ethylhexanoate);zirconium(2+) (CID 13388286) is bis(2-ethylhexanoate);zirconium(2+).
What is the SMILES notation for bis(2-ethylhexanoate);zirconium(2+)?
The canonical SMILES for bis(2-ethylhexanoate);zirconium(2+) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+2].
What is the InChIKey of bis(2-ethylhexanoate);zirconium(2+)?
The InChIKey is RIYRDRZNXDRTIL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
What are the key properties of bis(2-ethylhexanoate);zirconium(2+)?
bis(2-ethylhexanoate);zirconium(2+) has a molecular weight of 377.64 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexanoate);zirconium(2+) is sourced from PubChem (CID 13388286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).