1-methoxyethenolate

C3H4O2 — CID 16733725

About 1-methoxyethenolate

1-methoxyethenolate (PubChem CID 16733725) has the molecular formula C3H4O2 and a molecular weight of 72.06 g/mol. Its IUPAC name is 1-methoxyethenolate.

Molecular Properties

• Compound Name: 1-methoxyethenolate
• PubChem CID: 16733725
• Molecular Formula: C3H4O2
• Molecular Weight: 72.06 g/mol
• Exact Mass: 72.02
• IUPAC Name: 1-methoxyethenolate
• SMILES: [H]/[C+]=C(\[O-])OC
• InChI: InChI=1S/C3H4O2/c1-3(4)5-2/h1H,2H3
• InChIKey: UXCQHZZRJNPEJJ-UHFFFAOYSA-N
• XLogP: -0.73
• TPSA: 32.29 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	72.06
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-methoxyethenolate?

The IUPAC name of 1-methoxyethenolate (CID 16733725) is 1-methoxyethenolate.

What is the SMILES notation for 1-methoxyethenolate?

The canonical SMILES for 1-methoxyethenolate is [H]/[C+]=C(\[O-])OC.

What is the InChIKey of 1-methoxyethenolate?

The InChIKey is UXCQHZZRJNPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2/c1-3(4)5-2/h1H,2H3.

What are the key properties of 1-methoxyethenolate?

1-methoxyethenolate has a molecular weight of 72.06 g/mol, XLogP of -0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxyethenolate is sourced from PubChem (CID 16733725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).