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

C43H64O14 — CID 54387350

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

[1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate (PubChem CID 54387350) has the molecular formula C43H64O14 and a molecular weight of 804.97 g/mol. Its IUPAC name is [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate
• PubChem CID: 54387350
• Molecular Formula: C43H64O14
• Molecular Weight: 804.97 g/mol
• Exact Mass: 804.43
• IUPAC Name: [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(OCC)(Oc1ccc(C(C)(C)c2ccc(OC(OCC)(OC(=O)C(=C)C)C(OCC)(OCC)OCC)cc2)cc1)C(OCC)(OCC)OCC
• InChI: InChI=1S/C43H64O14/c1-15-46-40(47-16-2,48-17-3)42(52-21-7,56-37(44)31(9)10)54-35-27-23-33(24-28-35)39(13,14)34-25-29-36(30-26-34)55-43(53-22-8,57-38(45)32(11)12)41(49-18-4,50-19-5)51-20-6/h23-30H,9,11,15-22H2,1-8,10,12-14H3
• InChIKey: VEECILSYVQXGJZ-UHFFFAOYSA-N
• XLogP: 7.92
• 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	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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 [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate?

The IUPAC name of [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate (CID 54387350) is [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate.

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

The canonical SMILES for [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OCC)(Oc1ccc(C(C)(C)c2ccc(OC(OCC)(OC(=O)C(=C)C)C(OCC)(OCC)OCC)cc2)cc1)C(OCC)(OCC)OCC.

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

The InChIKey is VEECILSYVQXGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64O14/c1-15-46-40(47-16-2,48-17-3)42(52-21-7,56-37(44)31(9)10)54-35-27-23-33(24-28-35)39(13,14)34-25-29-36(30-26-34)55-43(53-22-8,57-38(45)32(11)12)41(49-18-4,50-19-5)51-20-6/h23-30H,9,11,15-22H2,1-8,10,12-14H3.

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

[1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(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 7.92, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [1,2,2,2-tetraethoxy-1-[4-[2-[4-[1,2,2,2-tetraethoxy-1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54387350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).