2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene

C13H24O2S — CID 174966901

IUPAC2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCCOCCOCC1CC=CS1
InChIInChI=1S/C13H24O2S/c1-2-3-4-5-8-14-9-10-15-12-13-7-6-11-16-13/h6,11,13H,2-5,7-10,12H2,1H3
InChIKeyJTWCKBHCRRFBQP-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.62
Rot. Bonds10

About 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene

2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene (PubChem CID 174966901) has the molecular formula C13H24O2S and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene
PubChem CID174966901
Molecular FormulaC13H24O2S
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Name2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCCOCCOCC1CC=CS1
InChIInChI=1S/C13H24O2S/c1-2-3-4-5-8-14-9-10-15-12-13-7-6-11-16-13/h6,11,13H,2-5,7-10,12H2,1H3
InChIKeyJTWCKBHCRRFBQP-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hexoxyethoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene (CID 174966901) is 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene is CCCCCCOCCOCC1CC=CS1.
What is the InChIKey of 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene?
The InChIKey is JTWCKBHCRRFBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S/c1-2-3-4-5-8-14-9-10-15-12-13-7-6-11-16-13/h6,11,13H,2-5,7-10,12H2,1H3.
What are the key properties of 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene?
2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene has a molecular weight of 244.40 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyethoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 174966901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).