2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate

C17H28O6 — CID 87574395

About 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate

2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate (PubChem CID 87574395) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 87574395
• Molecular Formula: C17H28O6
• Molecular Weight: 328.41 g/mol
• Exact Mass: 328.19
• IUPAC Name: 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCC(C)COCCOC(=O)C(=C)C
• InChI: InChI=1S/C17H28O6/c1-13(2)16(18)22-10-8-20-7-6-15(5)12-21-9-11-23-17(19)14(3)4/h15H,1,3,6-12H2,2,4-5H3
• InChIKey: YDRNZMZHWQARHA-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.41
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate (CID 87574395) is 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC(C)COCCOC(=O)C(=C)C.

What is the InChIKey of 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is YDRNZMZHWQARHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c1-13(2)16(18)22-10-8-20-7-6-15(5)12-21-9-11-23-17(19)14(3)4/h15H,1,3,6-12H2,2,4-5H3.

What are the key properties of 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate?

2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 2.28, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87574395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).