bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate

C20H30O9 — CID 158009828

About bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate

bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 158009828) has the molecular formula C20H30O9 and a molecular weight of 414.45 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 158009828
• Molecular Formula: C20H30O9
• Molecular Weight: 414.45 g/mol
• Exact Mass: 414.19
• IUPAC Name: bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OCCOCCOC(=O)C(=C)C
• InChI: InChI=1S/C12H18O5.2C4H6O2/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;2*1-3(2)4(5)6/h1,3,5-8H2,2,4H3;2*1H2,2H3,(H,5,6)
• InChIKey: FESZSVGASXFTMH-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 136.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.45
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 158009828) is bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.

What is the InChIKey of bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is FESZSVGASXFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5.2C4H6O2/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;2*1-3(2)4(5)6/h1,3,5-8H2,2,4H3;2*1H2,2H3,(H,5,6).

What are the key properties of bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?

bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 414.45 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158009828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).