bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate

C16H28O8 — CID 58362019

About bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate

bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate (PubChem CID 58362019) has the molecular formula C16H28O8 and a molecular weight of 348.39 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate.

Molecular Properties

• Compound Name: bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate
• PubChem CID: 58362019
• Molecular Formula: C16H28O8
• Molecular Weight: 348.39 g/mol
• Exact Mass: 348.18
• IUPAC Name: bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate
• SMILES: COCCOCCOC(=O)/C(C)=C(/C)C(=O)OCCOCCOC
• InChI: InChI=1S/C16H28O8/c1-13(15(17)23-11-9-21-7-5-19-3)14(2)16(18)24-12-10-22-8-6-20-4/h5-12H2,1-4H3/b14-13-
• InChIKey: PFAWANKVPNHCFX-YPKPFQOOSA-N
• XLogP: 0.74
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.39
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate?

The IUPAC name of bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate (CID 58362019) is bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate.

What is the SMILES notation for bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate?

The canonical SMILES for bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate is COCCOCCOC(=O)/C(C)=C(/C)C(=O)OCCOCCOC.

What is the InChIKey of bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate?

The InChIKey is PFAWANKVPNHCFX-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H28O8/c1-13(15(17)23-11-9-21-7-5-19-3)14(2)16(18)24-12-10-22-8-6-20-4/h5-12H2,1-4H3/b14-13-.

What are the key properties of bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate?

bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate has a molecular weight of 348.39 g/mol, XLogP of 0.74, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate is sourced from PubChem (CID 58362019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).