1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)

C8H8Y7-2 — CID 21053143

IUPAC1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)
SMILESCc1[c-]cc(C)c[c-]1.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H8.7Y/c1-7-3-5-8(2)6-4-7;;;;;;;/h3-4H,1-2H3;;;;;;;/q-2;;;;;;;
InChIKeyXBNKXOGIXYUCKF-UHFFFAOYSA-N
MW726.49 g/mol
LogP1.89
Rot. Bonds

About 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)

1,4-dimethylbenzene-3,5-diide;heptakis(yttrium) (PubChem CID 21053143) has the molecular formula C8H8Y7-2 and a molecular weight of 726.49 g/mol. Its IUPAC name is 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium).

Molecular Properties

Compound Name1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)
PubChem CID21053143
Molecular FormulaC8H8Y7-2
Molecular Weight726.49 g/mol
Exact Mass726.40
IUPAC Name1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)
SMILESCc1[c-]cc(C)c[c-]1.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H8.7Y/c1-7-3-5-8(2)6-4-7;;;;;;;/h3-4H,1-2H3;;;;;;;/q-2;;;;;;;
InChIKeyXBNKXOGIXYUCKF-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500726.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)?
The IUPAC name of 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium) (CID 21053143) is 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium).
What is the SMILES notation for 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)?
The canonical SMILES for 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium) is Cc1[c-]cc(C)c[c-]1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)?
The InChIKey is XBNKXOGIXYUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.7Y/c1-7-3-5-8(2)6-4-7;;;;;;;/h3-4H,1-2H3;;;;;;;/q-2;;;;;;;.
What are the key properties of 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium)?
1,4-dimethylbenzene-3,5-diide;heptakis(yttrium) has a molecular weight of 726.49 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylbenzene-3,5-diide;heptakis(yttrium) is sourced from PubChem (CID 21053143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).