2-(2-Ethoxyethyl)-2,3-dihydrothiophene

C8H14OS — CID 67866147

IUPAC2-(2-ethoxyethyl)-2,3-dihydrothiophene
SMILESCCOCCC1CC=CS1
InChIInChI=1S/C8H14OS/c1-2-9-6-5-8-4-3-7-10-8/h3,7-8H,2,4-6H2,1H3
InChIKeyIJNKHGKSNDWNOT-UHFFFAOYSA-N
MW158.26 g/mol
LogP2.00
Rot. Bonds4

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

2-(2-Ethoxyethyl)-2,3-dihydrothiophene (PubChem CID 67866147) has the molecular formula C8H14OS and a molecular weight of 158.26 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(2-Ethoxyethyl)-2,3-dihydrothiophene
PubChem CID67866147
Molecular FormulaC8H14OS
Molecular Weight158.26 g/mol
Exact Mass158.08
IUPAC Name2-(2-ethoxyethyl)-2,3-dihydrothiophene
SMILESCCOCCC1CC=CS1
InChIInChI=1S/C8H14OS/c1-2-9-6-5-8-4-3-7-10-8/h3,7-8H,2,4-6H2,1H3
InChIKeyIJNKHGKSNDWNOT-UHFFFAOYSA-N
XLogP2.00
TPSA34.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity112

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Butylsulfanyl-5-methoxypent-1-ene
CID 15262048
2-(3-Butenyl)-2-methyl-1,3-oxathiolane
CID 15938034
2-ethoxy-3,4-dihydro-2H-thiopyran
CID 18690614
2-(Methoxymethyl)-2,3-dihydrothiophene
CID 54203975
2-Propoxy-3-propyl-2,3-dihydrothiophene
CID 57105878
2-(2,3-Dihydrothiophen-2-yl)ethyl acetate
CID 68217093
2-(2-Methoxyethyl)-2,3-dihydrothiophene
CID 70265463
4-But-3-enyl-1,3-oxathiolane
CID 70453120
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
2-(Butoxymethyl)-2,3-dihydrothiophene
CID 90694438
2-(Propoxymethyl)-2,3-dihydrothiophene
CID 90980385
2-(Nonoxymethyl)-2,3-dihydrothiophene
CID 91232222

Frequently Asked Questions

What is the IUPAC name of 2-(2-Ethoxyethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(2-Ethoxyethyl)-2,3-dihydrothiophene (CID 67866147) is 2-(2-ethoxyethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(2-Ethoxyethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(2-Ethoxyethyl)-2,3-dihydrothiophene is CCOCCC1CC=CS1.
What is the InChIKey of 2-(2-Ethoxyethyl)-2,3-dihydrothiophene?
The InChIKey is IJNKHGKSNDWNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-6-5-8-4-3-7-10-8/h3,7-8H,2,4-6H2,1H3.
What are the key properties of 2-(2-Ethoxyethyl)-2,3-dihydrothiophene?
2-(2-Ethoxyethyl)-2,3-dihydrothiophene has a molecular weight of 158.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Ethoxyethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 67866147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).