2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate

C23H32O7 — CID 176740802

About 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 176740802) has the molecular formula C23H32O7 and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 176740802
• Molecular Formula: C23H32O7
• Molecular Weight: 420.50 g/mol
• Exact Mass: 420.21
• IUPAC Name: 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOC(C)Oc1ccc(C(C)(C)OCCOC(=O)C(=C)C)cc1
• InChI: InChI=1S/C23H32O7/c1-16(2)21(24)27-13-12-26-18(5)30-20-10-8-19(9-11-20)23(6,7)29-15-14-28-22(25)17(3)4/h8-11,18H,1,3,12-15H2,2,4-7H3
• InChIKey: LLLJUTKSMZAAQP-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.50
LogP ≤ 5	3.92
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 176740802) is 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(C)Oc1ccc(C(C)(C)OCCOC(=O)C(=C)C)cc1.

What is the InChIKey of 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is LLLJUTKSMZAAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O7/c1-16(2)21(24)27-13-12-26-18(5)30-20-10-8-19(9-11-20)23(6,7)29-15-14-28-22(25)17(3)4/h8-11,18H,1,3,12-15H2,2,4-7H3.

What are the key properties of 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate?

2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 420.50 g/mol, XLogP of 3.92, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 176740802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).