2,4-dimethylselenophene

C6H8Se — CID 59390251

IUPAC2,4-dimethylselenophene
SMILESCc1c[se]c(C)c1
InChIInChI=1S/C6H8Se/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKeyQWXTUFCYROZGIV-UHFFFAOYSA-N
MW159.09 g/mol
LogP1.36
Rot. Bonds

About 2,4-dimethylselenophene

2,4-dimethylselenophene (PubChem CID 59390251) has the molecular formula C6H8Se and a molecular weight of 159.09 g/mol. Its IUPAC name is 2,4-dimethylselenophene.

Molecular Properties

Compound Name2,4-dimethylselenophene
PubChem CID59390251
Molecular FormulaC6H8Se
Molecular Weight159.09 g/mol
Exact Mass159.98
IUPAC Name2,4-dimethylselenophene
SMILESCc1c[se]c(C)c1
InChIInChI=1S/C6H8Se/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKeyQWXTUFCYROZGIV-UHFFFAOYSA-N
XLogP1.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 51.36
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 2,4-dimethylselenophene?
The IUPAC name of 2,4-dimethylselenophene (CID 59390251) is 2,4-dimethylselenophene.
What is the SMILES notation for 2,4-dimethylselenophene?
The canonical SMILES for 2,4-dimethylselenophene is Cc1c[se]c(C)c1.
What is the InChIKey of 2,4-dimethylselenophene?
The InChIKey is QWXTUFCYROZGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Se/c1-5-3-6(2)7-4-5/h3-4H,1-2H3.
What are the key properties of 2,4-dimethylselenophene?
2,4-dimethylselenophene has a molecular weight of 159.09 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylselenophene is sourced from PubChem (CID 59390251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).