2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate

C43H64O14 — CID 22590229

About 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate

2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate (PubChem CID 22590229) has the molecular formula C43H64O14 and a molecular weight of 804.97 g/mol. Its IUPAC name is 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 22590229
• Molecular Formula: C43H64O14
• Molecular Weight: 804.97 g/mol
• Exact Mass: 804.43
• IUPAC Name: 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOc1c(OCC)c(OCC)c(C(C)(C)c2c(OCC)c(OCC)c(OCCOC(=O)C(=C)C)c(OCC)c2OCC)c(OCC)c1OCC
• InChI: InChI=1S/C43H64O14/c1-15-46-31-29(32(47-16-2)36(51-20-6)39(35(31)50-19-5)54-23-25-56-41(44)27(9)10)43(13,14)30-33(48-17-3)37(52-21-7)40(38(53-22-8)34(30)49-18-4)55-24-26-57-42(45)28(11)12/h9,11,15-26H2,1-8,10,12-14H3
• InChIKey: UZUBLHUYXADZJL-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 144.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	804.97
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate (CID 22590229) is 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1c(OCC)c(OCC)c(C(C)(C)c2c(OCC)c(OCC)c(OCCOC(=O)C(=C)C)c(OCC)c2OCC)c(OCC)c1OCC.

What is the InChIKey of 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is UZUBLHUYXADZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64O14/c1-15-46-31-29(32(47-16-2)36(51-20-6)39(35(31)50-19-5)54-23-25-56-41(44)27(9)10)43(13,14)30-33(48-17-3)37(52-21-7)40(38(53-22-8)34(30)49-18-4)55-24-26-57-42(45)28(11)12/h9,11,15-26H2,1-8,10,12-14H3.

What are the key properties of 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate?

2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 804.97 g/mol, XLogP of 8.20, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22590229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).