lithium ethenoxyethane

C4H7LiO — CID 10953421

About lithium ethenoxyethane

lithium ethenoxyethane (PubChem CID 10953421) has the molecular formula C4H7LiO and a molecular weight of 78.04 g/mol. Its IUPAC name is lithium ethenoxyethane.

Molecular Properties

• Compound Name: lithium ethenoxyethane
• PubChem CID: 10953421
• Molecular Formula: C4H7LiO
• Molecular Weight: 78.04 g/mol
• Exact Mass: 78.07
• IUPAC Name: lithium ethenoxyethane
• SMILES: [H]/[C-]=C\OCC.[Li+]
• InChI: InChI=1S/C4H7O.Li/c1-3-5-4-2;/h1,3H,4H2,2H3;/q-1;+1
• InChIKey: SHIJWKLUWQBUNH-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 lithium ethenoxyethane?

The IUPAC name of lithium ethenoxyethane (CID 10953421) is lithium ethenoxyethane.

What is the SMILES notation for lithium ethenoxyethane?

The canonical SMILES for lithium ethenoxyethane is [H]/[C-]=C\OCC.[Li+].

What is the InChIKey of lithium ethenoxyethane?

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

What are the key properties of lithium ethenoxyethane?

lithium ethenoxyethane 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 lithium ethenoxyethane is sourced from PubChem (CID 10953421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).