5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene

C30H48O5S — CID 59287922

IUPAC5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene
SMILESCCCCCCOc1cc(-c2cc(COCCOCCOC)c(C)s2)c(OCCCCCC)cc1C
InChIInChI=1S/C30H48O5S/c1-6-8-10-12-14-34-28-22-27(29(20-24(28)3)35-15-13-11-9-7-2)30-21-26(25(4)36-30)23-33-19-18-32-17-16-31-5/h20-22H,6-19,23H2,1-5H3
InChIKeyMEQXONYLJCTEND-UHFFFAOYSA-N
MW520.78 g/mol
LogP8.13
Rot. Bonds21

About 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene

5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene (PubChem CID 59287922) has the molecular formula C30H48O5S and a molecular weight of 520.78 g/mol. Its IUPAC name is 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene.

Molecular Properties

Compound Name5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene
PubChem CID59287922
Molecular FormulaC30H48O5S
Molecular Weight520.78 g/mol
Exact Mass520.32
IUPAC Name5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene
SMILESCCCCCCOc1cc(-c2cc(COCCOCCOC)c(C)s2)c(OCCCCCC)cc1C
InChIInChI=1S/C30H48O5S/c1-6-8-10-12-14-34-28-22-27(29(20-24(28)3)35-15-13-11-9-7-2)30-21-26(25(4)36-30)23-33-19-18-32-17-16-31-5/h20-22H,6-19,23H2,1-5H3
InChIKeyMEQXONYLJCTEND-UHFFFAOYSA-N
XLogP8.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.78
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
2-methyl-3-[2-[2-methyl-5-(3,4,5-tris-decoxyphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl]phenyl]thiophene
CID 102526088
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
2-(5-hexoxy-4-methyl-2-pentoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 20764472
5-[5-[5-formyl-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]-4-pentadecylthiophen-2-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophene-2-carbaldehyde
CID 102198712
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
2-bromo-5-[3-hexadecyl-5-[5-[5-[3-hexadecyl-5-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]thiophen-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]thiophen-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophene
CID 102263647

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene?
The IUPAC name of 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene (CID 59287922) is 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene.
What is the SMILES notation for 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene?
The canonical SMILES for 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene is CCCCCCOc1cc(-c2cc(COCCOCCOC)c(C)s2)c(OCCCCCC)cc1C.
What is the InChIKey of 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene?
The InChIKey is MEQXONYLJCTEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O5S/c1-6-8-10-12-14-34-28-22-27(29(20-24(28)3)35-15-13-11-9-7-2)30-21-26(25(4)36-30)23-33-19-18-32-17-16-31-5/h20-22H,6-19,23H2,1-5H3.
What are the key properties of 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene?
5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene has a molecular weight of 520.78 g/mol, XLogP of 8.13, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihexoxy-4-methylphenyl)-3-[2-(2-methoxyethoxy)ethoxymethyl]-2-methylthiophene is sourced from PubChem (CID 59287922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).