3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)

C8H6Y3-4 — CID 58239434

IUPAC3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)
SMILES[H]/[C-]=C/C(=[CH-])C(=[CH-])/C=[C-]/[H].[Y].[Y].[Y]
InChIInChI=1S/C8H6.3Y/c1-5-7(3)8(4)6-2;;;/h1-6H;;;/q-4;;;
InChIKeyXUQFHYNHXBKQKC-UHFFFAOYSA-N
MW368.85 g/mol
LogP1.68
Rot. Bonds3

About 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)

3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium) (PubChem CID 58239434) has the molecular formula C8H6Y3-4 and a molecular weight of 368.85 g/mol. Its IUPAC name is 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium).

Molecular Properties

Compound Name3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)
PubChem CID58239434
Molecular FormulaC8H6Y3-4
Molecular Weight368.85 g/mol
Exact Mass368.77
IUPAC Name3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)
SMILES[H]/[C-]=C/C(=[CH-])C(=[CH-])/C=[C-]/[H].[Y].[Y].[Y]
InChIInChI=1S/C8H6.3Y/c1-5-7(3)8(4)6-2;;;/h1-6H;;;/q-4;;;
InChIKeyXUQFHYNHXBKQKC-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)?
The IUPAC name of 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium) (CID 58239434) is 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium).
What is the SMILES notation for 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)?
The canonical SMILES for 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium) is [H]/[C-]=C/C(=[CH-])C(=[CH-])/C=[C-]/[H].[Y].[Y].[Y].
What is the InChIKey of 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)?
The InChIKey is XUQFHYNHXBKQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.3Y/c1-5-7(3)8(4)6-2;;;/h1-6H;;;/q-4;;;.
What are the key properties of 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)?
3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium) has a molecular weight of 368.85 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium) is sourced from PubChem (CID 58239434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).