2,3,5-trimethylselenophene

C7H10Se — CID 14660589

IUPAC2,3,5-trimethylselenophene
SMILESCc1cc(C)c(C)[se]1
InChIInChI=1S/C7H10Se/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChIKeyXHTPGMULOYWSIK-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.67
Rot. Bonds

About 2,3,5-trimethylselenophene

2,3,5-trimethylselenophene (PubChem CID 14660589) has the molecular formula C7H10Se and a molecular weight of 173.12 g/mol. Its IUPAC name is 2,3,5-trimethylselenophene.

Molecular Properties

Compound Name2,3,5-trimethylselenophene
PubChem CID14660589
Molecular FormulaC7H10Se
Molecular Weight173.12 g/mol
Exact Mass173.99
IUPAC Name2,3,5-trimethylselenophene
SMILESCc1cc(C)c(C)[se]1
InChIInChI=1S/C7H10Se/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChIKeyXHTPGMULOYWSIK-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.67
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 2,3,5-trimethylselenophene?
The IUPAC name of 2,3,5-trimethylselenophene (CID 14660589) is 2,3,5-trimethylselenophene.
What is the SMILES notation for 2,3,5-trimethylselenophene?
The canonical SMILES for 2,3,5-trimethylselenophene is Cc1cc(C)c(C)[se]1.
What is the InChIKey of 2,3,5-trimethylselenophene?
The InChIKey is XHTPGMULOYWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Se/c1-5-4-6(2)8-7(5)3/h4H,1-3H3.
What are the key properties of 2,3,5-trimethylselenophene?
2,3,5-trimethylselenophene has a molecular weight of 173.12 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylselenophene is sourced from PubChem (CID 14660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).