2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene

C28H36O4S — CID 118298810

IUPAC2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene
SMILESCOCCOCc1c(-c2c(C)cccc2C)sc(-c2c(C)cccc2C)c1COCCOC
InChIInChI=1S/C28H36O4S/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/h7-12H,13-18H2,1-6H3
InChIKeyQKYNHGSOXBQRFJ-UHFFFAOYSA-N
MW468.66 g/mol
LogP6.64
Rot. Bonds12

About 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene

2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene (PubChem CID 118298810) has the molecular formula C28H36O4S and a molecular weight of 468.66 g/mol. Its IUPAC name is 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene.

Molecular Properties

Compound Name2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene
PubChem CID118298810
Molecular FormulaC28H36O4S
Molecular Weight468.66 g/mol
Exact Mass468.23
IUPAC Name2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene
SMILESCOCCOCc1c(-c2c(C)cccc2C)sc(-c2c(C)cccc2C)c1COCCOC
InChIInChI=1S/C28H36O4S/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/h7-12H,13-18H2,1-6H3
InChIKeyQKYNHGSOXBQRFJ-UHFFFAOYSA-N
XLogP6.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[2,6-di(propan-2-yl)phenyl]-3,4-bis(2-methoxyethoxymethyl)thiophene
CID 118298822
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
2,5-bis(4-tert-butyl-2,6-dimethoxyphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene
CID 118298825
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927761
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
3-(2-methoxyethoxymethyl)-1-benzothiophene-2-carboxylic acid
CID 43332567
N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115897809
1-[4-fluoro-3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62457697

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene?
The IUPAC name of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene (CID 118298810) is 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene.
What is the SMILES notation for 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene?
The canonical SMILES for 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene is COCCOCc1c(-c2c(C)cccc2C)sc(-c2c(C)cccc2C)c1COCCOC.
What is the InChIKey of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene?
The InChIKey is QKYNHGSOXBQRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O4S/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/h7-12H,13-18H2,1-6H3.
What are the key properties of 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene?
2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene has a molecular weight of 468.66 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,6-dimethylphenyl)-3,4-bis(2-methoxyethoxymethyl)thiophene is sourced from PubChem (CID 118298810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).