2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate

C34H30O6 — CID 144703981

About 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate

2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate (PubChem CID 144703981) has the molecular formula C34H30O6 and a molecular weight of 534.61 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate
• PubChem CID: 144703981
• Molecular Formula: C34H30O6
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.20
• IUPAC Name: 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)Cc3cccc4cccc2c34)cc1
• InChI: InChI=1S/C34H30O6/c1-3-31(35)39-21-19-37-28-15-11-26(12-16-28)34(23-25-9-5-7-24-8-6-10-30(34)33(24)25)27-13-17-29(18-14-27)38-20-22-40-32(36)4-2/h3-18H,1-2,19-23H2
• InChIKey: LQUKBDOANGXUBX-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
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'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate (CID 144703981) is 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate.

What is the SMILES notation for 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate?

The canonical SMILES for 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)Cc3cccc4cccc2c34)cc1.

What is the InChIKey of 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate?

The InChIKey is LQUKBDOANGXUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O6/c1-3-31(35)39-21-19-37-28-15-11-26(12-16-28)34(23-25-9-5-7-24-8-6-10-30(34)33(24)25)27-13-17-29(18-14-27)38-20-22-40-32(36)4-2/h3-18H,1-2,19-23H2.

What are the key properties of 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate?

2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate has a molecular weight of 534.61 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 144703981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).