ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate

C16H28O7 — CID 157080818

About ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate

ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 157080818) has the molecular formula C16H28O7 and a molecular weight of 332.39 g/mol. Its IUPAC name is ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
• PubChem CID: 157080818
• Molecular Formula: C16H28O7
• Molecular Weight: 332.39 g/mol
• Exact Mass: 332.18
• IUPAC Name: ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOC.C=C(C)C(=O)OCOCC
• InChI: InChI=1S/C9H16O4.C7H12O3/c1-8(2)9(10)13-7-6-12-5-4-11-3;1-4-9-5-10-7(8)6(2)3/h1,4-7H2,2-3H3;2,4-5H2,1,3H3
• InChIKey: ADNDBDCHWWLLNZ-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.39
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate?

The IUPAC name of ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate (CID 157080818) is ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate.

What is the SMILES notation for ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate?

The canonical SMILES for ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC.C=C(C)C(=O)OCOCC.

What is the InChIKey of ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate?

The InChIKey is ADNDBDCHWWLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C7H12O3/c1-8(2)9(10)13-7-6-12-5-4-11-3;1-4-9-5-10-7(8)6(2)3/h1,4-7H2,2-3H3;2,4-5H2,1,3H3.

What are the key properties of ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate?

ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 332.39 g/mol, XLogP of 1.87, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 157080818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).