2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene

C11H20O3S — CID 174966916

IUPAC2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
SMILESCCOCCOCCOCC1CC=CS1
InChIInChI=1S/C11H20O3S/c1-2-12-5-6-13-7-8-14-10-11-4-3-9-15-11/h3,9,11H,2,4-8,10H2,1H3
InChIKeyCXAZASRBAROZFV-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.08
Rot. Bonds9

About 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene

2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene (PubChem CID 174966916) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
PubChem CID174966916
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
SMILESCCOCCOCCOCC1CC=CS1
InChIInChI=1S/C11H20O3S/c1-2-12-5-6-13-7-8-14-10-11-4-3-9-15-11/h3,9,11H,2,4-8,10H2,1H3
InChIKeyCXAZASRBAROZFV-UHFFFAOYSA-N
XLogP2.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene (CID 174966916) is 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene is CCOCCOCCOCC1CC=CS1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
The InChIKey is CXAZASRBAROZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-2-12-5-6-13-7-8-14-10-11-4-3-9-15-11/h3,9,11H,2,4-8,10H2,1H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene has a molecular weight of 232.34 g/mol, XLogP of 2.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene is sourced from PubChem (CID 174966916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).