ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate

C105H152O18 — CID 161440832

About ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate

ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate (PubChem CID 161440832) has the molecular formula C105H152O18 and a molecular weight of 1702.35 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate
• PubChem CID: 161440832
• Molecular Formula: C105H152O18
• Molecular Weight: 1702.35 g/mol
• Exact Mass: 1701.10
• IUPAC Name: ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate
• SMILES: CCOC(=O)COc1c(C)cc(C(C)(C)C(C)(C)C)cc1-c1cc(C(C)(C)C(C)(C)C)cc(-c2cc(C(C)(C)C(C)(C)C)cc(-c3cc(C(C)(C)C(C)(C)C)cc(-c4cc(C(C)(C)C(C)(C)C)cc(-c5cc(C(C)(C)C(C)(C)C)cc(CC)c5OCC(=O)OCC)c4OCC(=O)OCC)c3OCC(=O)OCC)c2OCC(=O)OCC)c1OCC(=O)OCC
• InChI: InChI=1S/C105H152O18/c1-39-65-47-67(101(29,30)95(12,13)14)49-73(89(65)119-59-83(107)113-41-3)75-51-69(103(33,34)97(18,19)20)53-77(91(75)121-61-85(109)115-43-5)79-55-71(105(37,38)99(24,25)26)57-81(93(79)123-63-87(111)117-45-7)80-56-70(104(35,36)98(21,22)23)54-78(92(80)122-62-86(110)116-44-6)76-52-68(102(31,32)96(15,16)17)50-74(90(76)120-60-84(108)114-42-4)72-48-66(100(27,28)94(9,10)11)46-64(8)88(72)118-58-82(106)112-40-2/h46-57H,39-45,58-63H2,1-38H3
• InChIKey: VZGCYSOCYLYWFS-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 213.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 36
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.35
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate?

The IUPAC name of ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate (CID 161440832) is ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate.

What is the SMILES notation for ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate?

The canonical SMILES for ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate is CCOC(=O)COc1c(C)cc(C(C)(C)C(C)(C)C)cc1-c1cc(C(C)(C)C(C)(C)C)cc(-c2cc(C(C)(C)C(C)(C)C)cc(-c3cc(C(C)(C)C(C)(C)C)cc(-c4cc(C(C)(C)C(C)(C)C)cc(-c5cc(C(C)(C)C(C)(C)C)cc(CC)c5OCC(=O)OCC)c4OCC(=O)OCC)c3OCC(=O)OCC)c2OCC(=O)OCC)c1OCC(=O)OCC.

What is the InChIKey of ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate?

The InChIKey is VZGCYSOCYLYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H152O18/c1-39-65-47-67(101(29,30)95(12,13)14)49-73(89(65)119-59-83(107)113-41-3)75-51-69(103(33,34)97(18,19)20)53-77(91(75)121-61-85(109)115-43-5)79-55-71(105(37,38)99(24,25)26)57-81(93(79)123-63-87(111)117-45-7)80-56-70(104(35,36)98(21,22)23)54-78(92(80)122-62-86(110)116-44-6)76-52-68(102(31,32)96(15,16)17)50-74(90(76)120-60-84(108)114-42-4)72-48-66(100(27,28)94(9,10)11)46-64(8)88(72)118-58-82(106)112-40-2/h46-57H,39-45,58-63H2,1-38H3.

What are the key properties of ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate?

ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate has a molecular weight of 1702.35 g/mol, XLogP of 24.49, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-[2-(2-ethoxy-2-oxoethoxy)-3-ethyl-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-5-(2,3,3-trimethylbutan-2-yl)phenyl]-6-methyl-4-(2,3,3-trimethylbutan-2-yl)phenoxy]acetate is sourced from PubChem (CID 161440832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).