azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)

C22H38N2O3Y2-2 — CID 158590023

IUPACazanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)
SMILESCC.CC.COC.COC.O=Cc1ccccc1.[N-]=Cc1ccccc1.[NH2-].[Y].[Y]
InChIInChI=1S/C7H6N.C7H6O.2C2H6O.2C2H6.H2N.2Y/c2*8-6-7-4-2-1-3-5-7;2*1-3-2;2*1-2;;;/h2*1-6H;2*1-2H3;2*1-2H3;1H2;;/q-1;;;;;;-1;;
InChIKeyLQNQAMAHIAJIMT-UHFFFAOYSA-N
MW556.37 g/mol
LogP6.46
Rot. Bonds2

About azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)

azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium) (PubChem CID 158590023) has the molecular formula C22H38N2O3Y2-2 and a molecular weight of 556.37 g/mol. Its IUPAC name is azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium).

Molecular Properties

Compound Nameazanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)
PubChem CID158590023
Molecular FormulaC22H38N2O3Y2-2
Molecular Weight556.37 g/mol
Exact Mass556.10
IUPAC Nameazanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)
SMILESCC.CC.COC.COC.O=Cc1ccccc1.[N-]=Cc1ccccc1.[NH2-].[Y].[Y]
InChIInChI=1S/C7H6N.C7H6O.2C2H6O.2C2H6.H2N.2Y/c2*8-6-7-4-2-1-3-5-7;2*1-3-2;2*1-2;;;/h2*1-6H;2*1-2H3;2*1-2H3;1H2;;/q-1;;;;;;-1;;
InChIKeyLQNQAMAHIAJIMT-UHFFFAOYSA-N
XLogP6.46
TPSA91.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.37
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzaldehyde;ethane;methanol
CID 143448374
benzaldehyde;ethane
CID 54495732
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
benzaldehyde;ethane;propane
CID 91184446
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;N-methoxy-N-methylmethanamine
CID 145337706
benzaldehyde;hydrate
CID 86741597
benzaldehyde;bis(pyridine)
CID 174954830
benzaldehyde;ethene
CID 22005957
anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane
CID 160882228
benzaldehyde;dimethyl hydrogen phosphate
CID 174541999
benzaldehyde;formamide
CID 87258384

Frequently Asked Questions

What is the IUPAC name of azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)?
The IUPAC name of azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium) (CID 158590023) is azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium).
What is the SMILES notation for azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)?
The canonical SMILES for azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium) is CC.CC.COC.COC.O=Cc1ccccc1.[N-]=Cc1ccccc1.[NH2-].[Y].[Y].
What is the InChIKey of azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)?
The InChIKey is LQNQAMAHIAJIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N.C7H6O.2C2H6O.2C2H6.H2N.2Y/c2*8-6-7-4-2-1-3-5-7;2*1-3-2;2*1-2;;;/h2*1-6H;2*1-2H3;2*1-2H3;1H2;;/q-1;;;;;;-1;;.
What are the key properties of azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)?
azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium) has a molecular weight of 556.37 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium) is sourced from PubChem (CID 158590023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).