1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium

C17H20O2Y-2 — CID 58963844

IUPAC1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium
SMILESCOCOc1cc[c-]cc1C.Cc1c[c-]ccc1C.[Y]
InChIInChI=1S/C9H11O2.C8H9.Y/c1-8-5-3-4-6-9(8)11-7-10-2;1-7-5-3-4-6-8(7)2;/h4-6H,7H2,1-2H3;3,5-6H,1-2H3;/q2*-1;
InChIKeyCGVVPYMQJKLGDA-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.88
Rot. Bonds3

About 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium

1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium (PubChem CID 58963844) has the molecular formula C17H20O2Y-2 and a molecular weight of 345.25 g/mol. Its IUPAC name is 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium.

Molecular Properties

Compound Name1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium
PubChem CID58963844
Molecular FormulaC17H20O2Y-2
Molecular Weight345.25 g/mol
Exact Mass345.05
IUPAC Name1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium
SMILESCOCOc1cc[c-]cc1C.Cc1c[c-]ccc1C.[Y]
InChIInChI=1S/C9H11O2.C8H9.Y/c1-8-5-3-4-6-9(8)11-7-10-2;1-7-5-3-4-6-8(7)2;/h4-6H,7H2,1-2H3;3,5-6H,1-2H3;/q2*-1;
InChIKeyCGVVPYMQJKLGDA-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium?
The IUPAC name of 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium (CID 58963844) is 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium.
What is the SMILES notation for 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium?
The canonical SMILES for 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium is COCOc1cc[c-]cc1C.Cc1c[c-]ccc1C.[Y].
What is the InChIKey of 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium?
The InChIKey is CGVVPYMQJKLGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.C8H9.Y/c1-8-5-3-4-6-9(8)11-7-10-2;1-7-5-3-4-6-8(7)2;/h4-6H,7H2,1-2H3;3,5-6H,1-2H3;/q2*-1;.
What are the key properties of 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium?
1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium has a molecular weight of 345.25 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzene-5-ide;1-(methoxymethoxy)-2-methylbenzene-4-ide;yttrium is sourced from PubChem (CID 58963844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).