2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate

C10H24O7Y2Zr+8 — CID 161247087

IUPAC2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate
SMILESCC(=O)[O-].CCCCC(CC)C(=O)[O-].O.O.O.[Y+3].[Y+3].[Zr+4]
InChIInChI=1S/C8H16O2.C2H4O2.3H2O.2Y.Zr/c1-3-5-6-7(4-2)8(9)10;1-2(3)4;;;;;;/h7H,3-6H2,1-2H3,(H,9,10);1H3,(H,3,4);3*1H2;;;/q;;;;;2*+3;+4/p-2
InChIKeyVATXJPYPVQTBOI-UHFFFAOYSA-L
MW525.33 g/mol
LogP-2.77
Rot. Bonds5

About 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate

2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate (PubChem CID 161247087) has the molecular formula C10H24O7Y2Zr+8 and a molecular weight of 525.33 g/mol. Its IUPAC name is 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate.

Molecular Properties

Compound Name2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate
PubChem CID161247087
Molecular FormulaC10H24O7Y2Zr+8
Molecular Weight525.33 g/mol
Exact Mass523.86
IUPAC Name2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate
SMILESCC(=O)[O-].CCCCC(CC)C(=O)[O-].O.O.O.[Y+3].[Y+3].[Zr+4]
InChIInChI=1S/C8H16O2.C2H4O2.3H2O.2Y.Zr/c1-3-5-6-7(4-2)8(9)10;1-2(3)4;;;;;;/h7H,3-6H2,1-2H3,(H,9,10);1H3,(H,3,4);3*1H2;;;/q;;;;;2*+3;+4/p-2
InChIKeyVATXJPYPVQTBOI-UHFFFAOYSA-L
XLogP-2.77
TPSA174.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.33
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate 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

2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate
CID 20539845
bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
CID 170851624
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
2-ethylhexanoate;tin(2+)
CID 23616604

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate?
The IUPAC name of 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate (CID 161247087) is 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate.
What is the SMILES notation for 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate?
The canonical SMILES for 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate is CC(=O)[O-].CCCCC(CC)C(=O)[O-].O.O.O.[Y+3].[Y+3].[Zr+4].
What is the InChIKey of 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate?
The InChIKey is VATXJPYPVQTBOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16O2.C2H4O2.3H2O.2Y.Zr/c1-3-5-6-7(4-2)8(9)10;1-2(3)4;;;;;;/h7H,3-6H2,1-2H3,(H,9,10);1H3,(H,3,4);3*1H2;;;/q;;;;;2*+3;+4/p-2.
What are the key properties of 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate?
2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate has a molecular weight of 525.33 g/mol, XLogP of -2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate is sourced from PubChem (CID 161247087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).