butanoate;cerium(4+);bis(2-ethylhexanoate)

C24H44CeO8 — CID 23191676

IUPACbutanoate;cerium(4+);bis(2-ethylhexanoate)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]
InChIInChI=1S/2C8H16O2.2C4H8O2.Ce/c2*1-3-5-6-7(4-2)8(9)10;2*1-2-3-4(5)6;/h2*7H,3-6H2,1-2H3,(H,9,10);2*2-3H2,1H3,(H,5,6);/q;;;;+4/p-4
InChIKeyCVIISBRPYCQLQQ-UHFFFAOYSA-J
MW600.72 g/mol
LogP0.98
Rot. Bonds14

About butanoate;cerium(4+);bis(2-ethylhexanoate)

butanoate;cerium(4+);bis(2-ethylhexanoate) (PubChem CID 23191676) has the molecular formula C24H44CeO8 and a molecular weight of 600.72 g/mol. Its IUPAC name is butanoate;cerium(4+);bis(2-ethylhexanoate).

Molecular Properties

Compound Namebutanoate;cerium(4+);bis(2-ethylhexanoate)
PubChem CID23191676
Molecular FormulaC24H44CeO8
Molecular Weight600.72 g/mol
Exact Mass600.21
IUPAC Namebutanoate;cerium(4+);bis(2-ethylhexanoate)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]
InChIInChI=1S/2C8H16O2.2C4H8O2.Ce/c2*1-3-5-6-7(4-2)8(9)10;2*1-2-3-4(5)6;/h2*7H,3-6H2,1-2H3,(H,9,10);2*2-3H2,1H3,(H,5,6);/q;;;;+4/p-4
InChIKeyCVIISBRPYCQLQQ-UHFFFAOYSA-J
XLogP0.98
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.72
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 170851624
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tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
CID 21474875
CID 21474875
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
dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate
CID 20539845

Frequently Asked Questions

What is the IUPAC name of butanoate;cerium(4+);bis(2-ethylhexanoate)?
The IUPAC name of butanoate;cerium(4+);bis(2-ethylhexanoate) (CID 23191676) is butanoate;cerium(4+);bis(2-ethylhexanoate).
What is the SMILES notation for butanoate;cerium(4+);bis(2-ethylhexanoate)?
The canonical SMILES for butanoate;cerium(4+);bis(2-ethylhexanoate) is CCCC(=O)[O-].CCCC(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4].
What is the InChIKey of butanoate;cerium(4+);bis(2-ethylhexanoate)?
The InChIKey is CVIISBRPYCQLQQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H16O2.2C4H8O2.Ce/c2*1-3-5-6-7(4-2)8(9)10;2*1-2-3-4(5)6;/h2*7H,3-6H2,1-2H3,(H,9,10);2*2-3H2,1H3,(H,5,6);/q;;;;+4/p-4.
What are the key properties of butanoate;cerium(4+);bis(2-ethylhexanoate)?
butanoate;cerium(4+);bis(2-ethylhexanoate) has a molecular weight of 600.72 g/mol, XLogP of 0.98, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;cerium(4+);bis(2-ethylhexanoate) is sourced from PubChem (CID 23191676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).