3-(2-ethenoxyethyl)thiophene

C8H10OS — CID 70162385

IUPAC3-(2-ethenoxyethyl)thiophene
SMILESC=COCCc1ccsc1
InChIInChI=1S/C8H10OS/c1-2-9-5-3-8-4-6-10-7-8/h2,4,6-7H,1,3,5H2
InChIKeyBAIYGXRMAFCVDV-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-ethenoxyethyl)thiophene

3-(2-ethenoxyethyl)thiophene (PubChem CID 70162385) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)thiophene.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)thiophene
PubChem CID70162385
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name3-(2-ethenoxyethyl)thiophene
SMILESC=COCCc1ccsc1
InChIInChI=1S/C8H10OS/c1-2-9-5-3-8-4-6-10-7-8/h2,4,6-7H,1,3,5H2
InChIKeyBAIYGXRMAFCVDV-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)thiophene?
The IUPAC name of 3-(2-ethenoxyethyl)thiophene (CID 70162385) is 3-(2-ethenoxyethyl)thiophene.
What is the SMILES notation for 3-(2-ethenoxyethyl)thiophene?
The canonical SMILES for 3-(2-ethenoxyethyl)thiophene is C=COCCc1ccsc1.
What is the InChIKey of 3-(2-ethenoxyethyl)thiophene?
The InChIKey is BAIYGXRMAFCVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-9-5-3-8-4-6-10-7-8/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(2-ethenoxyethyl)thiophene?
3-(2-ethenoxyethyl)thiophene has a molecular weight of 154.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)thiophene is sourced from PubChem (CID 70162385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).