2-ethenyl-3,4-dimethylselenophene

C8H10Se — CID 152762273

IUPAC2-ethenyl-3,4-dimethylselenophene
SMILESC=Cc1[se]cc(C)c1C
InChIInChI=1S/C8H10Se/c1-4-8-7(3)6(2)5-9-8/h4-5H,1H2,2-3H3
InChIKeyHGBWZBATHGYBEQ-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.00
Rot. Bonds1

About 2-ethenyl-3,4-dimethylselenophene

2-ethenyl-3,4-dimethylselenophene (PubChem CID 152762273) has the molecular formula C8H10Se and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-ethenyl-3,4-dimethylselenophene.

Molecular Properties

Compound Name2-ethenyl-3,4-dimethylselenophene
PubChem CID152762273
Molecular FormulaC8H10Se
Molecular Weight185.13 g/mol
Exact Mass185.99
IUPAC Name2-ethenyl-3,4-dimethylselenophene
SMILESC=Cc1[se]cc(C)c1C
InChIInChI=1S/C8H10Se/c1-4-8-7(3)6(2)5-9-8/h4-5H,1H2,2-3H3
InChIKeyHGBWZBATHGYBEQ-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3,4-dimethylselenophene?
The IUPAC name of 2-ethenyl-3,4-dimethylselenophene (CID 152762273) is 2-ethenyl-3,4-dimethylselenophene.
What is the SMILES notation for 2-ethenyl-3,4-dimethylselenophene?
The canonical SMILES for 2-ethenyl-3,4-dimethylselenophene is C=Cc1[se]cc(C)c1C.
What is the InChIKey of 2-ethenyl-3,4-dimethylselenophene?
The InChIKey is HGBWZBATHGYBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Se/c1-4-8-7(3)6(2)5-9-8/h4-5H,1H2,2-3H3.
What are the key properties of 2-ethenyl-3,4-dimethylselenophene?
2-ethenyl-3,4-dimethylselenophene has a molecular weight of 185.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,4-dimethylselenophene is sourced from PubChem (CID 152762273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).