1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)

C49H43O8Tb — CID 139143577

IUPAC1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
SMILESCOCCOC.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Tb+3]
InChIInChI=1S/3C15H12O2.C4H10O2.Tb/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-3-4-6-2;/h3*1-11,16H;3-4H2,1-2H3;/q;;;;+3/p-3/b3*14-11-;;
InChIKeyMHYJEROAIJFNNH-PGQFVXAISA-K
MW918.80 g/mol
LogP7.09
Rot. Bonds12

About 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)

1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+) (PubChem CID 139143577) has the molecular formula C49H43O8Tb and a molecular weight of 918.80 g/mol. Its IUPAC name is 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+).

Molecular Properties

Compound Name1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
PubChem CID139143577
Molecular FormulaC49H43O8Tb
Molecular Weight918.80 g/mol
Exact Mass918.22
IUPAC Name1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
SMILESCOCCOC.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Tb+3]
InChIInChI=1S/3C15H12O2.C4H10O2.Tb/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-3-4-6-2;/h3*1-11,16H;3-4H2,1-2H3;/q;;;;+3/p-3/b3*14-11-;;
InChIKeyMHYJEROAIJFNNH-PGQFVXAISA-K
XLogP7.09
TPSA138.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.80
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 50937319
CID 50937319
dichloroniobium;(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;bis(propan-1-ol)
CID 50937194
4-methoxy-3,4-dioxo-1-phenylbut-1-en-1-olate
CID 51411176
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)
CID 139176199
2-methyl-4-oxo-4-phenylbut-2-enoate;rubidium(1+)
CID 173291657
europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
CID 131675766
1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one
CID 70862300
3-methoxy-1-phenylpropan-1-one
CID 10942788
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)?
The IUPAC name of 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+) (CID 139143577) is 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+).
What is the SMILES notation for 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)?
The canonical SMILES for 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+) is COCCOC.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Tb+3].
What is the InChIKey of 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)?
The InChIKey is MHYJEROAIJFNNH-PGQFVXAISA-K. The full InChI is InChI=1S/3C15H12O2.C4H10O2.Tb/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-3-4-6-2;/h3*1-11,16H;3-4H2,1-2H3;/q;;;;+3/p-3/b3*14-11-;;.
What are the key properties of 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)?
1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+) has a molecular weight of 918.80 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+) is sourced from PubChem (CID 139143577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).