2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium

C10H11O3Y- — CID 58960774

IUPAC2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium
SMILESCc1[c-]c(C)cc(OCC(=O)O)c1.[Y]
InChIInChI=1S/C10H11O3.Y/c1-7-3-8(2)5-9(4-7)13-6-10(11)12;/h4-5H,6H2,1-2H3,(H,11,12);/q-1;
InChIKeySDYIQKZJUUJHSH-UHFFFAOYSA-N
MW268.10 g/mol
LogP1.56
Rot. Bonds3

About 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium

2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium (PubChem CID 58960774) has the molecular formula C10H11O3Y- and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium
PubChem CID58960774
Molecular FormulaC10H11O3Y-
Molecular Weight268.10 g/mol
Exact Mass267.98
IUPAC Name2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium
SMILESCc1[c-]c(C)cc(OCC(=O)O)c1.[Y]
InChIInChI=1S/C10H11O3.Y/c1-7-3-8(2)5-9(4-7)13-6-10(11)12;/h4-5H,6H2,1-2H3,(H,11,12);/q-1;
InChIKeySDYIQKZJUUJHSH-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium?
The IUPAC name of 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium (CID 58960774) is 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium.
What is the SMILES notation for 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium?
The canonical SMILES for 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium is Cc1[c-]c(C)cc(OCC(=O)O)c1.[Y].
What is the InChIKey of 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium?
The InChIKey is SDYIQKZJUUJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3.Y/c1-7-3-8(2)5-9(4-7)13-6-10(11)12;/h4-5H,6H2,1-2H3,(H,11,12);/q-1;.
What are the key properties of 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium?
2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium has a molecular weight of 268.10 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-4-id-1-yl)oxyacetic acid;yttrium is sourced from PubChem (CID 58960774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).