2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate

C29H40O7 — CID 151210127

About 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate

2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 151210127) has the molecular formula C29H40O7 and a molecular weight of 500.63 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
• PubChem CID: 151210127
• Molecular Formula: C29H40O7
• Molecular Weight: 500.63 g/mol
• Exact Mass: 500.28
• IUPAC Name: 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOCCOCCC)cc2)cc1
• InChI: InChI=1S/C29H40O7/c1-5-15-31-16-17-32-18-21-34-26-11-7-24(8-12-26)29(3,4)25-9-13-27(14-10-25)35-22-19-33-20-23-36-28(30)6-2/h6-14H,2,5,15-23H2,1,3-4H3
• InChIKey: NKCFGASGVQGLTG-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.63
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
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 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate (CID 151210127) is 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate.

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

The canonical SMILES for 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOCCOCCC)cc2)cc1.

What is the InChIKey of 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate?

The InChIKey is NKCFGASGVQGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O7/c1-5-15-31-16-17-32-18-21-34-26-11-7-24(8-12-26)29(3,4)25-9-13-27(14-10-25)35-22-19-33-20-23-36-28(30)6-2/h6-14H,2,5,15-23H2,1,3-4H3.

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

2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 500.63 g/mol, XLogP of 4.96, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 151210127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).