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

C15H28O3S — CID 175185810

IUPAC2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
SMILESCCCCCCOCCOCCOCC1CC=CS1
InChIInChI=1S/C15H28O3S/c1-2-3-4-5-8-16-9-10-17-11-12-18-14-15-7-6-13-19-15/h6,13,15H,2-5,7-12,14H2,1H3
InChIKeyYIMIMQXNSZXDDM-UHFFFAOYSA-N
MW288.45 g/mol
LogP3.64
Rot. Bonds13

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

2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene (PubChem CID 175185810) has the molecular formula C15H28O3S and a molecular weight of 288.45 g/mol. Its IUPAC name is 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
PubChem CID175185810
Molecular FormulaC15H28O3S
Molecular Weight288.45 g/mol
Exact Mass288.18
IUPAC Name2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene
SMILESCCCCCCOCCOCCOCC1CC=CS1
InChIInChI=1S/C15H28O3S/c1-2-3-4-5-8-16-9-10-17-11-12-18-14-15-7-6-13-19-15/h6,13,15H,2-5,7-12,14H2,1H3
InChIKeyYIMIMQXNSZXDDM-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 53.64
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-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
The IUPAC name of 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene (CID 175185810) is 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene.
What is the SMILES notation for 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
The canonical SMILES for 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene is CCCCCCOCCOCCOCC1CC=CS1.
What is the InChIKey of 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
The InChIKey is YIMIMQXNSZXDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3S/c1-2-3-4-5-8-16-9-10-17-11-12-18-14-15-7-6-13-19-15/h6,13,15H,2-5,7-12,14H2,1H3.
What are the key properties of 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene?
2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene has a molecular weight of 288.45 g/mol, XLogP of 3.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hexoxyethoxy)ethoxymethyl]-2,3-dihydrothiophene is sourced from PubChem (CID 175185810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).