1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium

C11H15OY- — CID 58636649

IUPAC1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium
SMILESCCOc1cc(C)[c-]c(C)c1C.[Y]
InChIInChI=1S/C11H15O.Y/c1-5-12-11-7-8(2)6-9(3)10(11)4;/h7H,5H2,1-4H3;/q-1;
InChIKeyPVRPPFCSGBLYSG-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.81
Rot. Bonds2

About 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium

1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium (PubChem CID 58636649) has the molecular formula C11H15OY- and a molecular weight of 252.15 g/mol. Its IUPAC name is 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium.

Molecular Properties

Compound Name1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium
PubChem CID58636649
Molecular FormulaC11H15OY-
Molecular Weight252.15 g/mol
Exact Mass252.02
IUPAC Name1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium
SMILESCCOc1cc(C)[c-]c(C)c1C.[Y]
InChIInChI=1S/C11H15O.Y/c1-5-12-11-7-8(2)6-9(3)10(11)4;/h7H,5H2,1-4H3;/q-1;
InChIKeyPVRPPFCSGBLYSG-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium?
The IUPAC name of 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium (CID 58636649) is 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium.
What is the SMILES notation for 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium?
The canonical SMILES for 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium is CCOc1cc(C)[c-]c(C)c1C.[Y].
What is the InChIKey of 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium?
The InChIKey is PVRPPFCSGBLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O.Y/c1-5-12-11-7-8(2)6-9(3)10(11)4;/h7H,5H2,1-4H3;/q-1;.
What are the key properties of 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium?
1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium has a molecular weight of 252.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3,5-trimethylbenzene-4-ide;yttrium is sourced from PubChem (CID 58636649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).