2-phenylbutan-2-ylselanylbenzene

C16H18Se — CID 12982285

IUPAC2-phenylbutan-2-ylselanylbenzene
SMILESCCC(C)([Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18Se/c1-3-16(2,14-10-6-4-7-11-14)17-15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyYRYYNJCFZMXJMH-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.34
Rot. Bonds4

About 2-phenylbutan-2-ylselanylbenzene

2-phenylbutan-2-ylselanylbenzene (PubChem CID 12982285) has the molecular formula C16H18Se and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-phenylbutan-2-ylselanylbenzene.

Molecular Properties

Compound Name2-phenylbutan-2-ylselanylbenzene
PubChem CID12982285
Molecular FormulaC16H18Se
Molecular Weight289.28 g/mol
Exact Mass290.06
IUPAC Name2-phenylbutan-2-ylselanylbenzene
SMILESCCC(C)([Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18Se/c1-3-16(2,14-10-6-4-7-11-14)17-15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyYRYYNJCFZMXJMH-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
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-phenylbutan-2-ylselanylbenzene?
The IUPAC name of 2-phenylbutan-2-ylselanylbenzene (CID 12982285) is 2-phenylbutan-2-ylselanylbenzene.
What is the SMILES notation for 2-phenylbutan-2-ylselanylbenzene?
The canonical SMILES for 2-phenylbutan-2-ylselanylbenzene is CCC(C)([Se]c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylbutan-2-ylselanylbenzene?
The InChIKey is YRYYNJCFZMXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Se/c1-3-16(2,14-10-6-4-7-11-14)17-15-12-8-5-9-13-15/h4-13H,3H2,1-2H3.
What are the key properties of 2-phenylbutan-2-ylselanylbenzene?
2-phenylbutan-2-ylselanylbenzene has a molecular weight of 289.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutan-2-ylselanylbenzene is sourced from PubChem (CID 12982285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).