1-ethoxyvinyllithium

C₄H₇LiO — CID 11040622

About 1-ethoxyvinyllithium

1-ethoxyvinyllithium (PubChem CID 11040622) has the molecular formula C₄H₇LiO and a molecular weight of 78.04 g/mol. Its IUPAC name is lithium ethenoxyethane.

Molecular Properties

• Compound Name: 1-ethoxyvinyllithium
• PubChem CID: 11040622
• Molecular Formula: C₄H₇LiO
• Molecular Weight: 78.04 g/mol
• Exact Mass: 78.07
• IUPAC Name: lithium ethenoxyethane
• SMILES: C=[C-]OCC.[Li+]
• InChI: InChI=1S/C4H7O.Li/c1-3-5-4-2;/h1,4H2,2H3;/q-1;+1
• InChIKey: GGXLEQIIYFJQFO-UHFFFAOYSA-N
• XLogP: -2.03
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	78.04
LogP ≤ 5	-2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyvinyllithium?

The IUPAC name of 1-ethoxyvinyllithium (CID 11040622) is lithium ethenoxyethane.

What is the SMILES notation for 1-ethoxyvinyllithium?

The canonical SMILES for 1-ethoxyvinyllithium is C=[C-]OCC.[Li+].

What is the InChIKey of 1-ethoxyvinyllithium?

The InChIKey is GGXLEQIIYFJQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.Li/c1-3-5-4-2;/h1,4H2,2H3;/q-1;+1.

What are the key properties of 1-ethoxyvinyllithium?

1-ethoxyvinyllithium has a molecular weight of 78.04 g/mol, XLogP of -2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethoxyvinyllithium is sourced from PubChem (CID 11040622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11040622 — identifiers, structure, computed properties (public domain)

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