3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)

C9H8O3Y3-2 — CID 59007037

IUPAC3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)
SMILESCOc1[c-]cc(C=O)[c-]c1OC.[Y].[Y].[Y]
InChIInChI=1S/C9H8O3.3Y/c1-11-8-4-3-7(6-10)5-9(8)12-2;;;/h3,6H,1-2H3;;;/q-2;;;
InChIKeyKOBRKVSTMGUMAG-UHFFFAOYSA-N
MW430.88 g/mol
LogP1.11
Rot. Bonds3

About 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)

3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium) (PubChem CID 59007037) has the molecular formula C9H8O3Y3-2 and a molecular weight of 430.88 g/mol. Its IUPAC name is 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium).

Molecular Properties

Compound Name3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)
PubChem CID59007037
Molecular FormulaC9H8O3Y3-2
Molecular Weight430.88 g/mol
Exact Mass430.77
IUPAC Name3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)
SMILESCOc1[c-]cc(C=O)[c-]c1OC.[Y].[Y].[Y]
InChIInChI=1S/C9H8O3.3Y/c1-11-8-4-3-7(6-10)5-9(8)12-2;;;/h3,6H,1-2H3;;;/q-2;;;
InChIKeyKOBRKVSTMGUMAG-UHFFFAOYSA-N
XLogP1.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)?
The IUPAC name of 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium) (CID 59007037) is 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium).
What is the SMILES notation for 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)?
The canonical SMILES for 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium) is COc1[c-]cc(C=O)[c-]c1OC.[Y].[Y].[Y].
What is the InChIKey of 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)?
The InChIKey is KOBRKVSTMGUMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.3Y/c1-11-8-4-3-7(6-10)5-9(8)12-2;;;/h3,6H,1-2H3;;;/q-2;;;.
What are the key properties of 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium)?
3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium) has a molecular weight of 430.88 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzene-2,5-diide-1-carbaldehyde;tris(yttrium) is sourced from PubChem (CID 59007037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).