1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium

C16H18Y-2 — CID 154612836

IUPAC1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium
SMILESCc1[c-]cccc1C.Cc1c[c-]ccc1C.[Y]
InChIInChI=1S/2C8H9.Y/c2*1-7-5-3-4-6-8(7)2;/h3,5-6H,1-2H3;3-5H,1-2H3;/q2*-1;
InChIKeyUEADHWOLSKYKBS-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.20
Rot. Bonds

About 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium

1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium (PubChem CID 154612836) has the molecular formula C16H18Y-2 and a molecular weight of 299.23 g/mol. Its IUPAC name is 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium.

Molecular Properties

Compound Name1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium
PubChem CID154612836
Molecular FormulaC16H18Y-2
Molecular Weight299.23 g/mol
Exact Mass299.05
IUPAC Name1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium
SMILESCc1[c-]cccc1C.Cc1c[c-]ccc1C.[Y]
InChIInChI=1S/2C8H9.Y/c2*1-7-5-3-4-6-8(7)2;/h3,5-6H,1-2H3;3-5H,1-2H3;/q2*-1;
InChIKeyUEADHWOLSKYKBS-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.20
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-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium?
The IUPAC name of 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium (CID 154612836) is 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium.
What is the SMILES notation for 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium?
The canonical SMILES for 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium is Cc1[c-]cccc1C.Cc1c[c-]ccc1C.[Y].
What is the InChIKey of 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium?
The InChIKey is UEADHWOLSKYKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9.Y/c2*1-7-5-3-4-6-8(7)2;/h3,5-6H,1-2H3;3-5H,1-2H3;/q2*-1;.
What are the key properties of 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium?
1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium has a molecular weight of 299.23 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium is sourced from PubChem (CID 154612836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).