2,4-ditert-butylselenophene

C12H20Se — CID 11831629

IUPAC2,4-ditert-butylselenophene
SMILESCC(C)(C)c1c[se]c(C(C)(C)C)c1
InChIInChI=1S/C12H20Se/c1-11(2,3)9-7-10(13-8-9)12(4,5)6/h7-8H,1-6H3
InChIKeySDVCIXHDVRWDPG-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.34
Rot. Bonds

About 2,4-ditert-butylselenophene

2,4-ditert-butylselenophene (PubChem CID 11831629) has the molecular formula C12H20Se and a molecular weight of 243.25 g/mol. Its IUPAC name is 2,4-ditert-butylselenophene.

Molecular Properties

Compound Name2,4-ditert-butylselenophene
PubChem CID11831629
Molecular FormulaC12H20Se
Molecular Weight243.25 g/mol
Exact Mass244.07
IUPAC Name2,4-ditert-butylselenophene
SMILESCC(C)(C)c1c[se]c(C(C)(C)C)c1
InChIInChI=1S/C12H20Se/c1-11(2,3)9-7-10(13-8-9)12(4,5)6/h7-8H,1-6H3
InChIKeySDVCIXHDVRWDPG-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.34
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-ditert-butylselenophene?
The IUPAC name of 2,4-ditert-butylselenophene (CID 11831629) is 2,4-ditert-butylselenophene.
What is the SMILES notation for 2,4-ditert-butylselenophene?
The canonical SMILES for 2,4-ditert-butylselenophene is CC(C)(C)c1c[se]c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butylselenophene?
The InChIKey is SDVCIXHDVRWDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Se/c1-11(2,3)9-7-10(13-8-9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,4-ditert-butylselenophene?
2,4-ditert-butylselenophene has a molecular weight of 243.25 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylselenophene is sourced from PubChem (CID 11831629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).