bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)

C24H48EuO8P2 — CID 59600988

IUPACbis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)
SMILESCC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.CP(C)(C)=O.CP(C)(C)=O.[Eu]
InChIInChI=1S/3C6H10O2.2C3H9OP.Eu/c3*1-4(5(2)7)6(3)8;2*1-5(2,3)4;/h3*7H,1-3H3;2*1-3H3;/b3*5-4-;;;
InChIKeyJAYZEAUCVLGGPH-REOLJSRRSA-N
MW678.55 g/mol
LogP6.76
Rot. Bonds3

About bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)

bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one) (PubChem CID 59600988) has the molecular formula C24H48EuO8P2 and a molecular weight of 678.55 g/mol. Its IUPAC name is bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one).

Molecular Properties

Compound Namebis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)
PubChem CID59600988
Molecular FormulaC24H48EuO8P2
Molecular Weight678.55 g/mol
Exact Mass679.20
IUPAC Namebis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)
SMILESCC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.CP(C)(C)=O.CP(C)(C)=O.[Eu]
InChIInChI=1S/3C6H10O2.2C3H9OP.Eu/c3*1-4(5(2)7)6(3)8;2*1-5(2,3)4;/h3*7H,1-3H3;2*1-3H3;/b3*5-4-;;;
InChIKeyJAYZEAUCVLGGPH-REOLJSRRSA-N
XLogP6.76
TPSA146.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.55
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)?
The IUPAC name of bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one) (CID 59600988) is bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one).
What is the SMILES notation for bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)?
The canonical SMILES for bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one) is CC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.CP(C)(C)=O.CP(C)(C)=O.[Eu].
What is the InChIKey of bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)?
The InChIKey is JAYZEAUCVLGGPH-REOLJSRRSA-N. The full InChI is InChI=1S/3C6H10O2.2C3H9OP.Eu/c3*1-4(5(2)7)6(3)8;2*1-5(2,3)4;/h3*7H,1-3H3;2*1-3H3;/b3*5-4-;;;.
What are the key properties of bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one)?
bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one) has a molecular weight of 678.55 g/mol, XLogP of 6.76, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylphosphorylmethane);europium;tris((Z)-4-hydroxy-3-methylpent-3-en-2-one) is sourced from PubChem (CID 59600988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).