tetrakis(2-ethylhexanoate);thorium(4+)

C32H60O8Th — CID 175390088

IUPACtetrakis(2-ethylhexanoate);thorium(4+)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Th+4]
InChIInChI=1S/4C8H16O2.Th/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4
InChIKeyURSFZJRVTFFVBD-UHFFFAOYSA-J
MW804.86 g/mol
LogP3.81
Rot. Bonds20

About tetrakis(2-ethylhexanoate);thorium(4+)

tetrakis(2-ethylhexanoate);thorium(4+) (PubChem CID 175390088) has the molecular formula C32H60O8Th and a molecular weight of 804.86 g/mol. Its IUPAC name is tetrakis(2-ethylhexanoate);thorium(4+).

Molecular Properties

Compound Nametetrakis(2-ethylhexanoate);thorium(4+)
PubChem CID175390088
Molecular FormulaC32H60O8Th
Molecular Weight804.86 g/mol
Exact Mass804.47
IUPAC Nametetrakis(2-ethylhexanoate);thorium(4+)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Th+4]
InChIInChI=1S/4C8H16O2.Th/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4
InChIKeyURSFZJRVTFFVBD-UHFFFAOYSA-J
XLogP3.81
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500804.86
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
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
bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
CID 170851624
2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-ethylhexanoate);thorium(4+)?
The IUPAC name of tetrakis(2-ethylhexanoate);thorium(4+) (CID 175390088) is tetrakis(2-ethylhexanoate);thorium(4+).
What is the SMILES notation for tetrakis(2-ethylhexanoate);thorium(4+)?
The canonical SMILES for tetrakis(2-ethylhexanoate);thorium(4+) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Th+4].
What is the InChIKey of tetrakis(2-ethylhexanoate);thorium(4+)?
The InChIKey is URSFZJRVTFFVBD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H16O2.Th/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4.
What are the key properties of tetrakis(2-ethylhexanoate);thorium(4+)?
tetrakis(2-ethylhexanoate);thorium(4+) has a molecular weight of 804.86 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);thorium(4+) is sourced from PubChem (CID 175390088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).