2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane

C15H26O7 — CID 88716952

About 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane

2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane (PubChem CID 88716952) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
• PubChem CID: 88716952
• Molecular Formula: C15H26O7
• Molecular Weight: 318.37 g/mol
• Exact Mass: 318.17
• IUPAC Name: 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
• SMILES: C(COCC1CO1)OCCOCC1CO1.CC=C(C)C(=O)O
• InChI: InChI=1S/C10H18O5.C5H8O2/c1(3-12-5-9-7-14-9)11-2-4-13-6-10-8-15-10;1-3-4(2)5(6)7/h9-10H,1-8H2;3H,1-2H3,(H,6,7)
• InChIKey: DWFOPLKSWBCXKI-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 90.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.37
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane?

The IUPAC name of 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane (CID 88716952) is 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane.

What is the SMILES notation for 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane?

The canonical SMILES for 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane is C(COCC1CO1)OCCOCC1CO1.CC=C(C)C(=O)O.

What is the InChIKey of 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane?

The InChIKey is DWFOPLKSWBCXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5.C5H8O2/c1(3-12-5-9-7-14-9)11-2-4-13-6-10-8-15-10;1-3-4(2)5(6)7/h9-10H,1-8H2;3H,1-2H3,(H,6,7).

What are the key properties of 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane?

2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane has a molecular weight of 318.37 g/mol, XLogP of 0.87, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 88716952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).