3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene

C54H74O18S6 — CID 101048630

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene
SMILESCOCCOCCOc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sccc6OCCOCCOC)cc5OCCOCCOC)cc4OCCOCCOC)cc3OCCOCCOC)cc2OCCOCCOC)c1
InChIInChI=1S/C54H74O18S6/c1-55-8-14-61-20-26-67-39-33-45(74-38-39)51-41(69-28-22-63-16-10-57-3)35-47(76-51)53-43(71-30-24-65-18-12-59-5)37-49(78-53)54-44(72-31-25-66-19-13-60-6)36-48(77-54)52-42(70-29-23-64-17-11-58-4)34-46(75-52)50-40(7-32-73-50)68-27-21-62-15-9-56-2/h7,32-38H,8-31H2,1-6H3
InChIKeyKQYBNYDLMHHZQC-UHFFFAOYSA-N
MW1203.57 g/mol
LogP10.64
Rot. Bonds47

About 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene

3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene (PubChem CID 101048630) has the molecular formula C54H74O18S6 and a molecular weight of 1203.57 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene
PubChem CID101048630
Molecular FormulaC54H74O18S6
Molecular Weight1203.57 g/mol
Exact Mass1202.32
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene
SMILESCOCCOCCOc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sccc6OCCOCCOC)cc5OCCOCCOC)cc4OCCOCCOC)cc3OCCOCCOC)cc2OCCOCCOC)c1
InChIInChI=1S/C54H74O18S6/c1-55-8-14-61-20-26-67-39-33-45(74-38-39)51-41(69-28-22-63-16-10-57-3)35-47(76-51)53-43(71-30-24-65-18-12-59-5)37-49(78-53)54-44(72-31-25-66-19-13-60-6)36-48(77-54)52-42(70-29-23-64-17-11-58-4)34-46(75-52)50-40(7-32-73-50)68-27-21-62-15-9-56-2/h7,32-38H,8-31H2,1-6H3
InChIKeyKQYBNYDLMHHZQC-UHFFFAOYSA-N
XLogP10.64
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds47
Heavy Atoms78
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.57
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene (CID 101048630) is 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene is COCCOCCOc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sccc6OCCOCCOC)cc5OCCOCCOC)cc4OCCOCCOC)cc3OCCOCCOC)cc2OCCOCCOC)c1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene?
The InChIKey is KQYBNYDLMHHZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H74O18S6/c1-55-8-14-61-20-26-67-39-33-45(74-38-39)51-41(69-28-22-63-16-10-57-3)35-47(76-51)53-43(71-30-24-65-18-12-59-5)37-49(78-53)54-44(72-31-25-66-19-13-60-6)36-48(77-54)52-42(70-29-23-64-17-11-58-4)34-46(75-52)50-40(7-32-73-50)68-27-21-62-15-9-56-2/h7,32-38H,8-31H2,1-6H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene?
3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene has a molecular weight of 1203.57 g/mol, XLogP of 10.64, 47 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene is sourced from PubChem (CID 101048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).