ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)

C24H36F9O6Ru+6 — CID 22834336

IUPACruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
SMILES[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[Ru+3]
InChIInChI=1S/3C8H11F3O2.Ru/c3*1-7(2,3)5(12)4-6(13)8(9,10)11;/h3*4,13H,1-3H3;/q;;;+3/p+3/b3*6-4-;
InChIKeyJXZXCHTWIPWWBI-KYQUTVEVSA-Q
MW692.60 g/mol
LogP7.74
Rot. Bonds3

About ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)

ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium) (PubChem CID 22834336) has the molecular formula C24H36F9O6Ru+6 and a molecular weight of 692.60 g/mol. Its IUPAC name is ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium).

Molecular Properties

Compound Nameruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
PubChem CID22834336
Molecular FormulaC24H36F9O6Ru+6
Molecular Weight692.60 g/mol
Exact Mass693.14
IUPAC Nameruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
SMILES[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[Ru+3]
InChIInChI=1S/3C8H11F3O2.Ru/c3*1-7(2,3)5(12)4-6(13)8(9,10)11;/h3*4,13H,1-3H3;/q;;;+3/p+3/b3*6-4-;
InChIKeyJXZXCHTWIPWWBI-KYQUTVEVSA-Q
XLogP7.74
TPSA124.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.60
LogP ≤ 57.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpropan-2-ol;tantalum
CID 58943021
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;propan-2-ol;tantalum
CID 58943005
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;propan-2-ol;titanium
CID 20576059
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpentane-2,4-diol;zirconium
CID 20576045
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpentane-2,4-diol;titanium
CID 20576042
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane
CID 159294845
[5-hydroxy-7-(2-methoxyethoxy)-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;bis(2-methylpropan-2-ol);titanium
CID 146845540
bis([(E)-1-hydroxy-1-methoxy-4,4-dimethylpent-1-en-3-ylidene]oxidanium);bis(propan-2-ol);titanium
CID 59155345
(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870
(2Z,4E)-1,1,1-trifluoro-4-(trifluoromethyl)hexa-2,4-dien-2-ol
CID 134221847

Frequently Asked Questions

What is the IUPAC name of ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)?
The IUPAC name of ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium) (CID 22834336) is ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium).
What is the SMILES notation for ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)?
The canonical SMILES for ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium) is [H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[H]/[O+]=C(/C=C(\O)C(F)(F)F)C(C)(C)C.[Ru+3].
What is the InChIKey of ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)?
The InChIKey is JXZXCHTWIPWWBI-KYQUTVEVSA-Q. The full InChI is InChI=1S/3C8H11F3O2.Ru/c3*1-7(2,3)5(12)4-6(13)8(9,10)11;/h3*4,13H,1-3H3;/q;;;+3/p+3/b3*6-4-;.
What are the key properties of ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)?
ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium) has a molecular weight of 692.60 g/mol, XLogP of 7.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium) is sourced from PubChem (CID 22834336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).