Allenylethylene carbonate

C₆H₆O₃ — CID 171396727

About Allenylethylene carbonate

Allenylethylene carbonate (PubChem CID 171396727) has the molecular formula C₆H₆O₃ and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-propa-1,2-dienyl-1,3-dioxolan-2-one.

Molecular Properties

• Compound Name: Allenylethylene carbonate
• PubChem CID: 171396727
• Molecular Formula: C₆H₆O₃
• Molecular Weight: 126.11 g/mol
• Exact Mass: 126.03
• IUPAC Name: 4-propa-1,2-dienyl-1,3-dioxolan-2-one
• SMILES: C=C=CC1COC(=O)O1
• InChI: InChI=1S/C6H6O3/c1-2-3-5-4-8-6(7)9-5/h3,5H,1,4H2
• InChIKey: YVWHTUBRUXMKGU-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	126.11
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Allenylethylene carbonate?

The IUPAC name of Allenylethylene carbonate (CID 171396727) is 4-propa-1,2-dienyl-1,3-dioxolan-2-one.

What is the SMILES notation for Allenylethylene carbonate?

The canonical SMILES for Allenylethylene carbonate is C=C=CC1COC(=O)O1.

What is the InChIKey of Allenylethylene carbonate?

The InChIKey is YVWHTUBRUXMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-2-3-5-4-8-6(7)9-5/h3,5H,1,4H2.

What are the key properties of Allenylethylene carbonate?

Allenylethylene carbonate has a molecular weight of 126.11 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Allenylethylene carbonate is sourced from PubChem (CID 171396727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171396727 — identifiers, structure, computed properties (public domain)

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