2-tert-butyl-3,5-dimethyl-1-benzoselenophene

C14H18Se — CID 164777343

IUPAC2-tert-butyl-3,5-dimethyl-1-benzoselenophene
SMILESCc1ccc2[se]c(C(C)(C)C)c(C)c2c1
InChIInChI=1S/C14H18Se/c1-9-6-7-12-11(8-9)10(2)13(15-12)14(3,4)5/h6-8H,1-5H3
InChIKeyLQKDBSKQAZLYCP-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.81
Rot. Bonds

About 2-tert-butyl-3,5-dimethyl-1-benzoselenophene

2-tert-butyl-3,5-dimethyl-1-benzoselenophene (PubChem CID 164777343) has the molecular formula C14H18Se and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-tert-butyl-3,5-dimethyl-1-benzoselenophene.

Molecular Properties

Compound Name2-tert-butyl-3,5-dimethyl-1-benzoselenophene
PubChem CID164777343
Molecular FormulaC14H18Se
Molecular Weight265.26 g/mol
Exact Mass266.06
IUPAC Name2-tert-butyl-3,5-dimethyl-1-benzoselenophene
SMILESCc1ccc2[se]c(C(C)(C)C)c(C)c2c1
InChIInChI=1S/C14H18Se/c1-9-6-7-12-11(8-9)10(2)13(15-12)14(3,4)5/h6-8H,1-5H3
InChIKeyLQKDBSKQAZLYCP-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.81
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-tert-butyl-3,5-dimethyl-1-benzoselenophene?
The IUPAC name of 2-tert-butyl-3,5-dimethyl-1-benzoselenophene (CID 164777343) is 2-tert-butyl-3,5-dimethyl-1-benzoselenophene.
What is the SMILES notation for 2-tert-butyl-3,5-dimethyl-1-benzoselenophene?
The canonical SMILES for 2-tert-butyl-3,5-dimethyl-1-benzoselenophene is Cc1ccc2[se]c(C(C)(C)C)c(C)c2c1.
What is the InChIKey of 2-tert-butyl-3,5-dimethyl-1-benzoselenophene?
The InChIKey is LQKDBSKQAZLYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Se/c1-9-6-7-12-11(8-9)10(2)13(15-12)14(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-3,5-dimethyl-1-benzoselenophene?
2-tert-butyl-3,5-dimethyl-1-benzoselenophene has a molecular weight of 265.26 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-dimethyl-1-benzoselenophene is sourced from PubChem (CID 164777343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).