Lithium 1-ethenoxypropane

C₅H₉LiO — CID 135050499

About Lithium 1-ethenoxypropane

Lithium 1-ethenoxypropane (PubChem CID 135050499) has the molecular formula C₅H₉LiO and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium 1-ethenoxypropane.

Molecular Properties

• Compound Name: Lithium 1-ethenoxypropane
• PubChem CID: 135050499
• Molecular Formula: C₅H₉LiO
• Molecular Weight: 92.07 g/mol
• Exact Mass: 92.08
• IUPAC Name: lithium 1-ethenoxypropane
• SMILES: C=COCC[CH2-].[Li+]
• InChI: InChI=1S/C5H9O.Li/c1-3-5-6-4-2;/h4H,1-3,5H2;/q-1;+1
• InChIKey: ZYYURIUCMGHFCM-UHFFFAOYSA-N
• XLogP: -1.63
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	92.07
LogP ≤ 5	-1.63
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Lithium 1-ethenoxypropane?

The IUPAC name of Lithium 1-ethenoxypropane (CID 135050499) is lithium 1-ethenoxypropane.

What is the SMILES notation for Lithium 1-ethenoxypropane?

The canonical SMILES for Lithium 1-ethenoxypropane is C=COCC[CH2-].[Li+].

What is the InChIKey of Lithium 1-ethenoxypropane?

The InChIKey is ZYYURIUCMGHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Li/c1-3-5-6-4-2;/h4H,1-3,5H2;/q-1;+1.

What are the key properties of Lithium 1-ethenoxypropane?

Lithium 1-ethenoxypropane has a molecular weight of 92.07 g/mol, XLogP of -1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Lithium 1-ethenoxypropane is sourced from PubChem (CID 135050499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135050499 — identifiers, structure, computed properties (public domain)

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