decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))

C80H150Mn2Ni2O20Pb — CID 173457056

IUPACdecakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Mn+2].[Mn+2].[Ni+2].[Ni+2].[Pb+2]
InChIInChI=1S/10C8H16O2.2Mn.2Ni.Pb/c10*1-3-5-6-7(4-2)8(9)10;;;;;/h10*7H,3-6H2,1-2H3,(H,9,10);;;;;/q;;;;;;;;;;5*+2/p-10
InChIKeyQYAVLMIHHVPVCQ-UHFFFAOYSA-D
MW1866.52 g/mol
LogP9.14
Rot. Bonds50

About decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))

decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)) (PubChem CID 173457056) has the molecular formula C80H150Mn2Ni2O20Pb and a molecular weight of 1866.52 g/mol. Its IUPAC name is decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)).

Molecular Properties

Compound Namedecakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
PubChem CID173457056
Molecular FormulaC80H150Mn2Ni2O20Pb
Molecular Weight1866.52 g/mol
Exact Mass1864.80
IUPAC Namedecakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Mn+2].[Mn+2].[Ni+2].[Ni+2].[Pb+2]
InChIInChI=1S/10C8H16O2.2Mn.2Ni.Pb/c10*1-3-5-6-7(4-2)8(9)10;;;;;/h10*7H,3-6H2,1-2H3,(H,9,10);;;;;/q;;;;;;;;;;5*+2/p-10
InChIKeyQYAVLMIHHVPVCQ-UHFFFAOYSA-D
XLogP9.14
TPSA401.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds50
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.52
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))?
The IUPAC name of decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)) (CID 173457056) is decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)).
What is the SMILES notation for decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))?
The canonical SMILES for decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Mn+2].[Mn+2].[Ni+2].[Ni+2].[Pb+2].
What is the InChIKey of decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))?
The InChIKey is QYAVLMIHHVPVCQ-UHFFFAOYSA-D. The full InChI is InChI=1S/10C8H16O2.2Mn.2Ni.Pb/c10*1-3-5-6-7(4-2)8(9)10;;;;;/h10*7H,3-6H2,1-2H3,(H,9,10);;;;;/q;;;;;;;;;;5*+2/p-10.
What are the key properties of decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))?
decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)) has a molecular weight of 1866.52 g/mol, XLogP of 9.14, 50 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+)) is sourced from PubChem (CID 173457056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).