2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol

C20H30O8S2 — CID 176549967

IUPAC2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccsc1-c1sccc1OCCOCCOCCO
InChIInChI=1S/C20H30O8S2/c21-3-5-23-7-9-25-11-13-27-17-1-15-29-19(17)20-18(2-16-30-20)28-14-12-26-10-8-24-6-4-22/h1-2,15-16,21-22H,3-14H2
InChIKeyQKAVEUJQDCAUCT-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.29
Rot. Bonds19

About 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol

2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol (PubChem CID 176549967) has the molecular formula C20H30O8S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol
PubChem CID176549967
Molecular FormulaC20H30O8S2
Molecular Weight462.59 g/mol
Exact Mass462.14
IUPAC Name2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccsc1-c1sccc1OCCOCCOCCO
InChIInChI=1S/C20H30O8S2/c21-3-5-23-7-9-25-11-13-27-17-1-15-29-19(17)20-18(2-16-30-20)28-14-12-26-10-8-24-6-4-22/h1-2,15-16,21-22H,3-14H2
InChIKeyQKAVEUJQDCAUCT-UHFFFAOYSA-N
XLogP2.29
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol (CID 176549967) is 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol is OCCOCCOCCOc1ccsc1-c1sccc1OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol?
The InChIKey is QKAVEUJQDCAUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O8S2/c21-3-5-23-7-9-25-11-13-27-17-1-15-29-19(17)20-18(2-16-30-20)28-14-12-26-10-8-24-6-4-22/h1-2,15-16,21-22H,3-14H2.
What are the key properties of 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol?
2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol has a molecular weight of 462.59 g/mol, XLogP of 2.29, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]thiophen-2-yl]thiophen-3-yl]oxyethoxy]ethoxy]ethanol is sourced from PubChem (CID 176549967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).