ethylbenzene;yttrium

C8H9Y- — CID 59931165

IUPACethylbenzene;yttrium
SMILESCCc1cc[c-]cc1.[Y]
InChIInChI=1S/C8H9.Y/c1-2-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;
InChIKeyIQPISRXZLNGNRW-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.05
Rot. Bonds1

About ethylbenzene;yttrium

ethylbenzene;yttrium (PubChem CID 59931165) has the molecular formula C8H9Y- and a molecular weight of 194.07 g/mol. Its IUPAC name is ethylbenzene;yttrium.

Molecular Properties

Compound Nameethylbenzene;yttrium
PubChem CID59931165
Molecular FormulaC8H9Y-
Molecular Weight194.07 g/mol
Exact Mass193.98
IUPAC Nameethylbenzene;yttrium
SMILESCCc1cc[c-]cc1.[Y]
InChIInChI=1S/C8H9.Y/c1-2-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;
InChIKeyIQPISRXZLNGNRW-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.05
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;yttrium?
The IUPAC name of ethylbenzene;yttrium (CID 59931165) is ethylbenzene;yttrium.
What is the SMILES notation for ethylbenzene;yttrium?
The canonical SMILES for ethylbenzene;yttrium is CCc1cc[c-]cc1.[Y].
What is the InChIKey of ethylbenzene;yttrium?
The InChIKey is IQPISRXZLNGNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Y/c1-2-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;.
What are the key properties of ethylbenzene;yttrium?
ethylbenzene;yttrium has a molecular weight of 194.07 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;yttrium is sourced from PubChem (CID 59931165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).