ethynoxybenzene;yttrium(3+)

C8H5OY+2 — CID 23539498

About ethynoxybenzene;yttrium(3+)

ethynoxybenzene;yttrium(3+) (PubChem CID 23539498) has the molecular formula C8H5OY+2 and a molecular weight of 206.03 g/mol. Its IUPAC name is ethynoxybenzene;yttrium(3+).

Molecular Properties

• Compound Name: ethynoxybenzene;yttrium(3+)
• PubChem CID: 23539498
• Molecular Formula: C8H5OY+2
• Molecular Weight: 206.03 g/mol
• Exact Mass: 205.94
• IUPAC Name: ethynoxybenzene;yttrium(3+)
• SMILES: [C-]#COc1ccccc1.[Y+3]
• InChI: InChI=1S/C8H5O.Y/c1-2-9-8-6-4-3-5-7-8;/h3-7H;/q-1;+3
• InChIKey: HYSBZLSFJACRIZ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.03
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethynoxybenzene;yttrium(3+)?

The IUPAC name of ethynoxybenzene;yttrium(3+) (CID 23539498) is ethynoxybenzene;yttrium(3+).

What is the SMILES notation for ethynoxybenzene;yttrium(3+)?

The canonical SMILES for ethynoxybenzene;yttrium(3+) is [C-]#COc1ccccc1.[Y+3].

What is the InChIKey of ethynoxybenzene;yttrium(3+)?

The InChIKey is HYSBZLSFJACRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O.Y/c1-2-9-8-6-4-3-5-7-8;/h3-7H;/q-1;+3.

What are the key properties of ethynoxybenzene;yttrium(3+)?

ethynoxybenzene;yttrium(3+) has a molecular weight of 206.03 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ethynoxybenzene;yttrium(3+) is sourced from PubChem (CID 23539498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).