tetrakis(2-ethylhexanoate);bis(zirconium(4+))

C32H60O8Zr2+4 — CID 175920407

IUPACtetrakis(2-ethylhexanoate);bis(zirconium(4+))
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4].[Zr+4]
InChIInChI=1S/4C8H16O2.2Zr/c4*1-3-5-6-7(4-2)8(9)10;;/h4*7H,3-6H2,1-2H3,(H,9,10);;/q;;;;2*+4/p-4
InChIKeyKSJSNXZWNJCVLH-UHFFFAOYSA-J
MW755.27 g/mol
LogP3.81
Rot. Bonds20

About tetrakis(2-ethylhexanoate);bis(zirconium(4+))

tetrakis(2-ethylhexanoate);bis(zirconium(4+)) (PubChem CID 175920407) has the molecular formula C32H60O8Zr2+4 and a molecular weight of 755.27 g/mol. Its IUPAC name is tetrakis(2-ethylhexanoate);bis(zirconium(4+)).

Molecular Properties

Compound Nametetrakis(2-ethylhexanoate);bis(zirconium(4+))
PubChem CID175920407
Molecular FormulaC32H60O8Zr2+4
Molecular Weight755.27 g/mol
Exact Mass752.24
IUPAC Nametetrakis(2-ethylhexanoate);bis(zirconium(4+))
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4].[Zr+4]
InChIInChI=1S/4C8H16O2.2Zr/c4*1-3-5-6-7(4-2)8(9)10;;/h4*7H,3-6H2,1-2H3,(H,9,10);;/q;;;;2*+4/p-4
InChIKeyKSJSNXZWNJCVLH-UHFFFAOYSA-J
XLogP3.81
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500755.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tetrakis(2-ethylhexanoate);bis(zirconium(4+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
2-ethylhexanoate;tin(2+)
CID 23616604
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651
2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate
CID 161247087
decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
CID 173457056
bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
CID 170851624

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-ethylhexanoate);bis(zirconium(4+))?
The IUPAC name of tetrakis(2-ethylhexanoate);bis(zirconium(4+)) (CID 175920407) is tetrakis(2-ethylhexanoate);bis(zirconium(4+)).
What is the SMILES notation for tetrakis(2-ethylhexanoate);bis(zirconium(4+))?
The canonical SMILES for tetrakis(2-ethylhexanoate);bis(zirconium(4+)) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4].[Zr+4].
What is the InChIKey of tetrakis(2-ethylhexanoate);bis(zirconium(4+))?
The InChIKey is KSJSNXZWNJCVLH-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H16O2.2Zr/c4*1-3-5-6-7(4-2)8(9)10;;/h4*7H,3-6H2,1-2H3,(H,9,10);;/q;;;;2*+4/p-4.
What are the key properties of tetrakis(2-ethylhexanoate);bis(zirconium(4+))?
tetrakis(2-ethylhexanoate);bis(zirconium(4+)) has a molecular weight of 755.27 g/mol, XLogP of 3.81, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-ethylhexanoate);bis(zirconium(4+)) is sourced from PubChem (CID 175920407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).