1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane

C₁₁H₂₀O₂ — CID 151171253

About 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane

1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane (PubChem CID 151171253) has the molecular formula C₁₁H₂₀O₂ and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane.

Molecular Properties

• Compound Name: 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane
• PubChem CID: 151171253
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.28 g/mol
• Exact Mass: 184.15
• IUPAC Name: 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane
• SMILES: CC=COCCOC1(CC)CCC1
• InChI: InChI=1S/C11H20O2/c1-3-8-12-9-10-13-11(4-2)6-5-7-11/h3,8H,4-7,9-10H2,1-2H3
• InChIKey: NCIAEWJHPKCODP-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.28
LogP ≤ 5	2.89
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane?

The IUPAC name of 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane (CID 151171253) is 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane.

What is the SMILES notation for 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane?

The canonical SMILES for 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane is CC=COCCOC1(CC)CCC1.

What is the InChIKey of 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane?

The InChIKey is NCIAEWJHPKCODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-8-12-9-10-13-11(4-2)6-5-7-11/h3,8H,4-7,9-10H2,1-2H3.

What are the key properties of 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane?

1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane is sourced from PubChem (CID 151171253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151171253 — identifiers, structure, computed properties (public domain)

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