3-(2,2-dimethoxyethylselanyl)thiophene

C8H12O2SSe — CID 87280129

IUPAC3-(2,2-dimethoxyethylselanyl)thiophene
SMILESCOC(C[Se]c1ccsc1)OC
InChIInChI=1S/C8H12O2SSe/c1-9-8(10-2)6-12-7-3-4-11-5-7/h3-5,8H,6H2,1-2H3
InChIKeyGEWDOCJUMXGJTC-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.11
Rot. Bonds5

About 3-(2,2-dimethoxyethylselanyl)thiophene

3-(2,2-dimethoxyethylselanyl)thiophene (PubChem CID 87280129) has the molecular formula C8H12O2SSe and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethylselanyl)thiophene.

Molecular Properties

Compound Name3-(2,2-dimethoxyethylselanyl)thiophene
PubChem CID87280129
Molecular FormulaC8H12O2SSe
Molecular Weight251.21 g/mol
Exact Mass251.97
IUPAC Name3-(2,2-dimethoxyethylselanyl)thiophene
SMILESCOC(C[Se]c1ccsc1)OC
InChIInChI=1S/C8H12O2SSe/c1-9-8(10-2)6-12-7-3-4-11-5-7/h3-5,8H,6H2,1-2H3
InChIKeyGEWDOCJUMXGJTC-UHFFFAOYSA-N
XLogP1.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethylselanyl)thiophene?
The IUPAC name of 3-(2,2-dimethoxyethylselanyl)thiophene (CID 87280129) is 3-(2,2-dimethoxyethylselanyl)thiophene.
What is the SMILES notation for 3-(2,2-dimethoxyethylselanyl)thiophene?
The canonical SMILES for 3-(2,2-dimethoxyethylselanyl)thiophene is COC(C[Se]c1ccsc1)OC.
What is the InChIKey of 3-(2,2-dimethoxyethylselanyl)thiophene?
The InChIKey is GEWDOCJUMXGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2SSe/c1-9-8(10-2)6-12-7-3-4-11-5-7/h3-5,8H,6H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethylselanyl)thiophene?
3-(2,2-dimethoxyethylselanyl)thiophene has a molecular weight of 251.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethylselanyl)thiophene is sourced from PubChem (CID 87280129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).