1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)

C8H7Y3-3 — CID 177209342

IUPAC1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)
SMILESCc1[c-]c[c-]c(C)[c-]1.[Y].[Y].[Y]
InChIInChI=1S/C8H7.3Y/c1-7-4-3-5-8(2)6-7;;;/h3H,1-2H3;;;/q-3;;;
InChIKeyZUOVLSAFFBWVLB-UHFFFAOYSA-N
MW369.86 g/mol
LogP1.70
Rot. Bonds

About 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)

1,3-dimethylbenzene-2,4,6-triide;tris(yttrium) (PubChem CID 177209342) has the molecular formula C8H7Y3-3 and a molecular weight of 369.86 g/mol. Its IUPAC name is 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium).

Molecular Properties

Compound Name1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)
PubChem CID177209342
Molecular FormulaC8H7Y3-3
Molecular Weight369.86 g/mol
Exact Mass369.77
IUPAC Name1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)
SMILESCc1[c-]c[c-]c(C)[c-]1.[Y].[Y].[Y]
InChIInChI=1S/C8H7.3Y/c1-7-4-3-5-8(2)6-7;;;/h3H,1-2H3;;;/q-3;;;
InChIKeyZUOVLSAFFBWVLB-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 51.70
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 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)?
The IUPAC name of 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium) (CID 177209342) is 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium).
What is the SMILES notation for 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)?
The canonical SMILES for 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium) is Cc1[c-]c[c-]c(C)[c-]1.[Y].[Y].[Y].
What is the InChIKey of 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)?
The InChIKey is ZUOVLSAFFBWVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7.3Y/c1-7-4-3-5-8(2)6-7;;;/h3H,1-2H3;;;/q-3;;;.
What are the key properties of 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium)?
1,3-dimethylbenzene-2,4,6-triide;tris(yttrium) has a molecular weight of 369.86 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbenzene-2,4,6-triide;tris(yttrium) is sourced from PubChem (CID 177209342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).