2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

C14H22O6 — CID 175561109

About 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 175561109) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

• Compound Name: 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
• PubChem CID: 175561109
• Molecular Formula: C14H22O6
• Molecular Weight: 286.32 g/mol
• Exact Mass: 286.14
• IUPAC Name: 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
• SMILES: C=C(C)C(=O)O.C=COCCOCCOC(=O)C(=C)C
• InChI: InChI=1S/C10H16O4.C4H6O2/c1-4-12-5-6-13-7-8-14-10(11)9(2)3;1-3(2)4(5)6/h4H,1-2,5-8H2,3H3;1H2,2H3,(H,5,6)
• InChIKey: HMMQUXXNWOIFNA-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.32
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
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-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?

The IUPAC name of 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 175561109) is 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

What is the SMILES notation for 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?

The canonical SMILES for 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=COCCOCCOC(=O)C(=C)C.

What is the InChIKey of 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?

The InChIKey is HMMQUXXNWOIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.C4H6O2/c1-4-12-5-6-13-7-8-14-10(11)9(2)3;1-3(2)4(5)6/h4H,1-2,5-8H2,3H3;1H2,2H3,(H,5,6).

What are the key properties of 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?

2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 286.32 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 175561109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).