bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)

C12H10O4Ru — CID 158604090

IUPACbis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
SMILES[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1.[Ru+2]
InChIInChI=1S/2C6H6O2.Ru/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/q;;+2/p-2
InChIKeyDVGOWVJAOXREHW-UHFFFAOYSA-L
MW319.28 g/mol
LogP0.48
Rot. Bonds

About bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)

bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+) (PubChem CID 158604090) has the molecular formula C12H10O4Ru and a molecular weight of 319.28 g/mol. Its IUPAC name is bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+).

Molecular Properties

Compound Namebis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
PubChem CID158604090
Molecular FormulaC12H10O4Ru
Molecular Weight319.28 g/mol
Exact Mass319.96
IUPAC Namebis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
SMILES[O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1.[Ru+2]
InChIInChI=1S/2C6H6O2.Ru/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/q;;+2/p-2
InChIKeyDVGOWVJAOXREHW-UHFFFAOYSA-L
XLogP0.48
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
CID 157122316
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate;1-cyclopenta-2,4-dien-1-ylidene-2-oxo-2-phenylethanolate;iron(2+)
CID 159102143
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate
CID 12725581
carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
CID 12618807
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
1-cyclopenta-2,4-dien-1-ylidene-2-phenylethanolate;cyclopenta-2,4-dien-1-ylidene(phenyl)methanolate;iron(2+)
CID 162009578
2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol
CID 12723680
bis((E)-1-cyclopenta-2,4-dien-1-ylidene-3-phenylprop-2-en-1-olate);iron(2+)
CID 50922660
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
CID 169092793

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)?
The IUPAC name of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+) (CID 158604090) is bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+).
What is the SMILES notation for bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)?
The canonical SMILES for bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+) is [O-]C(O)=C1C=CC=C1.[O-]C(O)=C1C=CC=C1.[Ru+2].
What is the InChIKey of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)?
The InChIKey is DVGOWVJAOXREHW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O2.Ru/c2*7-6(8)5-3-1-2-4-5;/h2*1-4,7-8H;/q;;+2/p-2.
What are the key properties of bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)?
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+) has a molecular weight of 319.28 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+) is sourced from PubChem (CID 158604090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).