1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)

C9H11Y4- — CID 22090392

IUPAC1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)
SMILESCc1[c-]c(C)c(C)cc1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4Y/c1-7-4-5-8(2)9(3)6-7;;;;/h4-5H,1-3H3;;;;/q-1;;;;
InChIKeyIVWAJDDTZGMNCP-UHFFFAOYSA-N
MW474.81 g/mol
LogP2.40
Rot. Bonds

About 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)

1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium) (PubChem CID 22090392) has the molecular formula C9H11Y4- and a molecular weight of 474.81 g/mol. Its IUPAC name is 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium).

Molecular Properties

Compound Name1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)
PubChem CID22090392
Molecular FormulaC9H11Y4-
Molecular Weight474.81 g/mol
Exact Mass474.71
IUPAC Name1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)
SMILESCc1[c-]c(C)c(C)cc1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4Y/c1-7-4-5-8(2)9(3)6-7;;;;/h4-5H,1-3H3;;;;/q-1;;;;
InChIKeyIVWAJDDTZGMNCP-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.81
LogP ≤ 52.40
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 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)?
The IUPAC name of 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium) (CID 22090392) is 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium).
What is the SMILES notation for 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)?
The canonical SMILES for 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium) is Cc1[c-]c(C)c(C)cc1.[Y].[Y].[Y].[Y].
What is the InChIKey of 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)?
The InChIKey is IVWAJDDTZGMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.4Y/c1-7-4-5-8(2)9(3)6-7;;;;/h4-5H,1-3H3;;;;/q-1;;;;.
What are the key properties of 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium)?
1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium) has a molecular weight of 474.81 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylbenzene-3-ide;tetrakis(yttrium) is sourced from PubChem (CID 22090392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).