2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate

C42H46O10 — CID 139696115

About 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate

2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 139696115) has the molecular formula C42H46O10 and a molecular weight of 710.82 g/mol. Its IUPAC name is 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
• PubChem CID: 139696115
• Molecular Formula: C42H46O10
• Molecular Weight: 710.82 g/mol
• Exact Mass: 710.31
• IUPAC Name: 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOCCOCCOc1ccc(-c2ccc(OCCOCCOCCOC(=O)C=C)c(-c3ccccc3)c2)cc1-c1ccccc1
• InChI: InChI=1S/C42H46O10/c1-3-41(43)51-29-25-47-21-19-45-23-27-49-39-17-15-35(31-37(39)33-11-7-5-8-12-33)36-16-18-40(38(32-36)34-13-9-6-10-14-34)50-28-24-46-20-22-48-26-30-52-42(44)4-2/h3-18,31-32H,1-2,19-30H2
• InChIKey: OWKBZEMHMUFGIK-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 25
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.82
LogP ≤ 5	6.97
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate (CID 139696115) is 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate.

What is the SMILES notation for 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

The canonical SMILES for 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCCOc1ccc(-c2ccc(OCCOCCOCCOC(=O)C=C)c(-c3ccccc3)c2)cc1-c1ccccc1.

What is the InChIKey of 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

The InChIKey is OWKBZEMHMUFGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46O10/c1-3-41(43)51-29-25-47-21-19-45-23-27-49-39-17-15-35(31-37(39)33-11-7-5-8-12-33)36-16-18-40(38(32-36)34-13-9-6-10-14-34)50-28-24-46-20-22-48-26-30-52-42(44)4-2/h3-18,31-32H,1-2,19-30H2.

What are the key properties of 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate?

2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 710.82 g/mol, XLogP of 6.97, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-phenyl-4-[3-phenyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 139696115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).