2,3-dimethylselenophene;ethane

C8H14Se — CID 142967412

IUPAC2,3-dimethylselenophene;ethane
SMILESCC.Cc1cc[se]c1C
InChIInChI=1S/C6H8Se.C2H6/c1-5-3-4-7-6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyXGSPUUKGVWRQFG-UHFFFAOYSA-N
MW189.16 g/mol
LogP2.39
Rot. Bonds

About 2,3-dimethylselenophene;ethane

2,3-dimethylselenophene;ethane (PubChem CID 142967412) has the molecular formula C8H14Se and a molecular weight of 189.16 g/mol. Its IUPAC name is 2,3-dimethylselenophene;ethane.

Molecular Properties

Compound Name2,3-dimethylselenophene;ethane
PubChem CID142967412
Molecular FormulaC8H14Se
Molecular Weight189.16 g/mol
Exact Mass190.03
IUPAC Name2,3-dimethylselenophene;ethane
SMILESCC.Cc1cc[se]c1C
InChIInChI=1S/C6H8Se.C2H6/c1-5-3-4-7-6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyXGSPUUKGVWRQFG-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 52.39
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-dimethylselenophene;ethane?
The IUPAC name of 2,3-dimethylselenophene;ethane (CID 142967412) is 2,3-dimethylselenophene;ethane.
What is the SMILES notation for 2,3-dimethylselenophene;ethane?
The canonical SMILES for 2,3-dimethylselenophene;ethane is CC.Cc1cc[se]c1C.
What is the InChIKey of 2,3-dimethylselenophene;ethane?
The InChIKey is XGSPUUKGVWRQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Se.C2H6/c1-5-3-4-7-6(5)2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2,3-dimethylselenophene;ethane?
2,3-dimethylselenophene;ethane has a molecular weight of 189.16 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylselenophene;ethane is sourced from PubChem (CID 142967412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).