tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium

C33H60O6Tb — CID 71311421

IUPACtris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
SMILESCC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.[Tb]
InChIInChI=1S/3C11H20O2.Tb/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7+;
InChIKeyGQPSDALECZNZJB-QFVJJVGWSA-N
MW711.76 g/mol
LogP9.27
Rot. Bonds3

About tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium

tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium (PubChem CID 71311421) has the molecular formula C33H60O6Tb and a molecular weight of 711.76 g/mol. Its IUPAC name is tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium.

Molecular Properties

Compound Nametris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
PubChem CID71311421
Molecular FormulaC33H60O6Tb
Molecular Weight711.76 g/mol
Exact Mass711.36
IUPAC Nametris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
SMILESCC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.[Tb]
InChIInChI=1S/3C11H20O2.Tb/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7+;
InChIKeyGQPSDALECZNZJB-QFVJJVGWSA-N
XLogP9.27
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.76
LogP ≤ 59.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')europium
CID 5486784
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)manganese(III)
CID 11456218
Iron(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
CID 72376385
Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium
CID 5483717
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II)
CID 14534779
5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
CID 84639
(4Z)-5-Hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one
CID 5363779
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)thulium(III)
CID 6157080
copper;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 11080499
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II)
CID 72376320
Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')praseodymium
CID 167291
Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')dysprosium
CID 5483748

Frequently Asked Questions

What is the IUPAC name of tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium?
The IUPAC name of tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium (CID 71311421) is tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium.
What is the SMILES notation for tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium?
The canonical SMILES for tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium is CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.[Tb].
What is the InChIKey of tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium?
The InChIKey is GQPSDALECZNZJB-QFVJJVGWSA-N. The full InChI is InChI=1S/3C11H20O2.Tb/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7+;.
What are the key properties of tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium?
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium has a molecular weight of 711.76 g/mol, XLogP of 9.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium is sourced from PubChem (CID 71311421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).