2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium

C10H11OY- — CID 58226479

IUPAC2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium
SMILESCc1c[c-]cc(C)c1CC=O.[Y]
InChIInChI=1S/C10H11O.Y/c1-8-4-3-5-9(2)10(8)6-7-11;/h4-5,7H,6H2,1-2H3;/q-1;
InChIKeyWTUKPGDQTIWDDG-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium

2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium (PubChem CID 58226479) has the molecular formula C10H11OY- and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium.

Molecular Properties

Compound Name2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium
PubChem CID58226479
Molecular FormulaC10H11OY-
Molecular Weight236.10 g/mol
Exact Mass235.99
IUPAC Name2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium
SMILESCc1c[c-]cc(C)c1CC=O.[Y]
InChIInChI=1S/C10H11O.Y/c1-8-4-3-5-9(2)10(8)6-7-11;/h4-5,7H,6H2,1-2H3;/q-1;
InChIKeyWTUKPGDQTIWDDG-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium?
The IUPAC name of 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium (CID 58226479) is 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium.
What is the SMILES notation for 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium?
The canonical SMILES for 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium is Cc1c[c-]cc(C)c1CC=O.[Y].
What is the InChIKey of 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium?
The InChIKey is WTUKPGDQTIWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Y/c1-8-4-3-5-9(2)10(8)6-7-11;/h4-5,7H,6H2,1-2H3;/q-1;.
What are the key properties of 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium?
2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium has a molecular weight of 236.10 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylbenzene-4-id-1-yl)acetaldehyde;yttrium is sourced from PubChem (CID 58226479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).