2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)

C54H75BO10S2Y2-2 — CID 160936119

About 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)

2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium) (PubChem CID 160936119) has the molecular formula C54H75BO10S2Y2-2 and a molecular weight of 1136.94 g/mol. Its IUPAC name is 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium).

Molecular Properties

• Compound Name: 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)
• PubChem CID: 160936119
• Molecular Formula: C54H75BO10S2Y2-2
• Molecular Weight: 1136.94 g/mol
• Exact Mass: 1136.30
• IUPAC Name: 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)
• SMILES: COCCOCc1[c-]s[c-]c1COCCOC.COCCOCc1c(-c2c(C)cccc2C)sc(-c2c(C)cccc2C)c1COCCOC.Cc1cccc(C)c1B1OC(C)(C)C(C)(C)O1.[Y].[Y]
• InChI: InChI=1S/C28H36O4S.C14H21BO2.C12H18O4S.2Y/c1-19-9-7-10-20(2)25(19)27-23(17-31-15-13-29-5)24(18-32-16-14-30-6)28(33-27)26-21(3)11-8-12-22(26)4;1-10-8-7-9-11(2)12(10)15-16-13(3,4)14(5,6)17-15;1-13-3-5-15-7-11-9-17-10-12(11)8-16-6-4-14-2;;/h7-12H,13-18H2,1-6H3;7-9H,1-6H3;3-8H2,1-2H3;;/q;;-2
• InChIKey: LZWXOKHDOJQCMQ-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 92.30 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1136.94
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)?

The IUPAC name of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium) (CID 160936119) is 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium).

What is the SMILES notation for 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)?

The canonical SMILES for 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium) is COCCOCc1[c-]s[c-]c1COCCOC.COCCOCc1c(-c2c(C)cccc2C)sc(-c2c(C)cccc2C)c1COCCOC.Cc1cccc(C)c1B1OC(C)(C)C(C)(C)O1.[Y].[Y].

What is the InChIKey of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)?

The InChIKey is LZWXOKHDOJQCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O4S.C14H21BO2.C12H18O4S.2Y/c1-19-9-7-10-20(2)25(19)27-23(17-31-15-13-29-5)24(18-32-16-14-30-6)28(33-27)26-21(3)11-8-12-22(26)4;1-10-8-7-9-11(2)12(10)15-16-13(3,4)14(5,6)17-15;1-13-3-5-15-7-11-9-17-10-12(11)8-16-6-4-14-2;;/h7-12H,13-18H2,1-6H3;7-9H,1-6H3;3-8H2,1-2H3;;/q;;-2;;.

What are the key properties of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium)?

2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium) has a molecular weight of 1136.94 g/mol, XLogP of 10.91, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene;3,4-bis(2-methoxyethoxymethyl)-2,5-dihydrothiophene-2,5-diide;2-(2,6-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(yttrium) is sourced from PubChem (CID 160936119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).