2-(ethoxymethyl)-2,3-dihydrothiophene

C7H12OS — CID 91356929

IUPAC2-(ethoxymethyl)-2,3-dihydrothiophene
SMILESCCOCC1CC=CS1
InChIInChI=1S/C7H12OS/c1-2-8-6-7-4-3-5-9-7/h3,5,7H,2,4,6H2,1H3
InChIKeyAAMRHSDYGWQYND-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds3

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

2-(ethoxymethyl)-2,3-dihydrothiophene (PubChem CID 91356929) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(ethoxymethyl)-2,3-dihydrothiophene
PubChem CID91356929
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(ethoxymethyl)-2,3-dihydrothiophene
SMILESCCOCC1CC=CS1
InChIInChI=1S/C7H12OS/c1-2-8-6-7-4-3-5-9-7/h3,5,7H,2,4,6H2,1H3
InChIKeyAAMRHSDYGWQYND-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(ethoxymethyl)-2,3-dihydrothiophene (CID 91356929) is 2-(ethoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(ethoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(ethoxymethyl)-2,3-dihydrothiophene is CCOCC1CC=CS1.
What is the InChIKey of 2-(ethoxymethyl)-2,3-dihydrothiophene?
The InChIKey is AAMRHSDYGWQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-8-6-7-4-3-5-9-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 2-(ethoxymethyl)-2,3-dihydrothiophene?
2-(ethoxymethyl)-2,3-dihydrothiophene has a molecular weight of 144.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 91356929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).