2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C18H28O5 — CID 126606849

About 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 126606849) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 126606849
• Molecular Formula: C18H28O5
• Molecular Weight: 324.42 g/mol
• Exact Mass: 324.19
• IUPAC Name: 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOCCOC(C(=C)C)=C1CCC1
• InChI: InChI=1S/C18H28O5/c1-14(2)17(16-6-5-7-16)22-12-10-20-8-9-21-11-13-23-18(19)15(3)4/h1,3,5-13H2,2,4H3
• InChIKey: GAIAOMBMSGDDLA-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.42
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 126606849) is 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCOC(C(=C)C)=C1CCC1.

What is the InChIKey of 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is GAIAOMBMSGDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-14(2)17(16-6-5-7-16)22-12-10-20-8-9-21-11-13-23-18(19)15(3)4/h1,3,5-13H2,2,4H3.

What are the key properties of 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 324.42 g/mol, XLogP of 3.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(1-cyclobutylidene-2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 126606849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).