2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate

C23H38O10 — CID 22961517

About 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate

2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 22961517) has the molecular formula C23H38O10 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate
• PubChem CID: 22961517
• Molecular Formula: C23H38O10
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.25
• IUPAC Name: 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOCCOCCOC/C=C(/C)COCCOCCOCCOC(=O)C=C
• InChI: InChI=1S/C23H38O10/c1-4-22(24)32-18-16-29-12-10-27-9-8-26-7-6-21(3)20-31-15-14-28-11-13-30-17-19-33-23(25)5-2/h4-6H,1-2,7-20H2,3H3/b21-6-
• InChIKey: WEYPHASJFYMXOV-MPUCSWFWSA-N
• XLogP: 1.49
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate (CID 22961517) is 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate.

What is the SMILES notation for 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

The canonical SMILES for 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCCOC/C=C(/C)COCCOCCOCCOC(=O)C=C.

What is the InChIKey of 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

The InChIKey is WEYPHASJFYMXOV-MPUCSWFWSA-N. The full InChI is InChI=1S/C23H38O10/c1-4-22(24)32-18-16-29-12-10-27-9-8-26-7-6-21(3)20-31-15-14-28-11-13-30-17-19-33-23(25)5-2/h4-6H,1-2,7-20H2,3H3/b21-6-.

What are the key properties of 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 474.55 g/mol, XLogP of 1.49, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 22961517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).