2-tert-butyl-4-hexylselenophene

C14H24Se — CID 154612984

IUPAC2-tert-butyl-4-hexylselenophene
SMILESCCCCCCc1c[se]c(C(C)(C)C)c1
InChIInChI=1S/C14H24Se/c1-5-6-7-8-9-12-10-13(15-11-12)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyAPRVZTMGBDHSTK-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.16
Rot. Bonds5

About 2-tert-butyl-4-hexylselenophene

2-tert-butyl-4-hexylselenophene (PubChem CID 154612984) has the molecular formula C14H24Se and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-tert-butyl-4-hexylselenophene.

Molecular Properties

Compound Name2-tert-butyl-4-hexylselenophene
PubChem CID154612984
Molecular FormulaC14H24Se
Molecular Weight271.31 g/mol
Exact Mass272.10
IUPAC Name2-tert-butyl-4-hexylselenophene
SMILESCCCCCCc1c[se]c(C(C)(C)C)c1
InChIInChI=1S/C14H24Se/c1-5-6-7-8-9-12-10-13(15-11-12)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyAPRVZTMGBDHSTK-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-hexylselenophene?
The IUPAC name of 2-tert-butyl-4-hexylselenophene (CID 154612984) is 2-tert-butyl-4-hexylselenophene.
What is the SMILES notation for 2-tert-butyl-4-hexylselenophene?
The canonical SMILES for 2-tert-butyl-4-hexylselenophene is CCCCCCc1c[se]c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-hexylselenophene?
The InChIKey is APRVZTMGBDHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Se/c1-5-6-7-8-9-12-10-13(15-11-12)14(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-4-hexylselenophene?
2-tert-butyl-4-hexylselenophene has a molecular weight of 271.31 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-hexylselenophene is sourced from PubChem (CID 154612984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).