bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)

C20H28N2O6Pd2+2 — CID 54705655

IUPACbis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)
SMILESC/C(O)=[NH+]\c1[c-]cccc1.C/C(O)=[NH+]\c1[c-]cccc1.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Pd].[Pd]
InChIInChI=1S/2C8H8NO.2C2H4O2.2Pd/c2*1-7(10)9-8-5-3-2-4-6-8;2*1-2(3)4;;/h2*2-5H,1H3,(H,9,10);2*1H3,(H,3,4);;/q2*-1;;;;/p+4
InChIKeyPJOVYLVVIGBNCO-UHFFFAOYSA-R
MW605.29 g/mol
LogP0.48
Rot. Bonds2

About bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)

bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium) (PubChem CID 54705655) has the molecular formula C20H28N2O6Pd2+2 and a molecular weight of 605.29 g/mol. Its IUPAC name is bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium).

Molecular Properties

Compound Namebis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)
PubChem CID54705655
Molecular FormulaC20H28N2O6Pd2+2
Molecular Weight605.29 g/mol
Exact Mass604.00
IUPAC Namebis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)
SMILESC/C(O)=[NH+]\c1[c-]cccc1.C/C(O)=[NH+]\c1[c-]cccc1.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Pd].[Pd]
InChIInChI=1S/2C8H8NO.2C2H4O2.2Pd/c2*1-7(10)9-8-5-3-2-4-6-8;2*1-2(3)4;;/h2*2-5H,1H3,(H,9,10);2*1H3,(H,3,4);;/q2*-1;;;;/p+4
InChIKeyPJOVYLVVIGBNCO-UHFFFAOYSA-R
XLogP0.48
TPSA151.66 Ų
H-Bond Donors6
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.29
LogP ≤ 50.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 58165797
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CID 58986785
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tris(N,N-dimethyl-2-phenylpropan-2-amine);gadolinium(3+)
CID 135085147
magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide
CID 87198252
5,5-dimethyl-4-phenyl-1,2-dihydro-3-benzazepine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58983287
methylbenzene;tungsten
CID 58867867
methylbenzene;praseodymium
CID 59896436

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)?
The IUPAC name of bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium) (CID 54705655) is bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium).
What is the SMILES notation for bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)?
The canonical SMILES for bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium) is C/C(O)=[NH+]\c1[c-]cccc1.C/C(O)=[NH+]\c1[c-]cccc1.[H]/[O+]=C(\C)O.[H]/[O+]=C(\C)O.[Pd].[Pd].
What is the InChIKey of bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)?
The InChIKey is PJOVYLVVIGBNCO-UHFFFAOYSA-R. The full InChI is InChI=1S/2C8H8NO.2C2H4O2.2Pd/c2*1-7(10)9-8-5-3-2-4-6-8;2*1-2(3)4;;/h2*2-5H,1H3,(H,9,10);2*1H3,(H,3,4);;/q2*-1;;;;/p+4.
What are the key properties of bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)?
bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium) has a molecular weight of 605.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 6 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium) is sourced from PubChem (CID 54705655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).