tert-butylselanylbenzene

C10H14Se — CID 11171880

IUPACtert-butylselanylbenzene
SMILESCC(C)(C)[Se]c1ccccc1
InChIInChI=1S/C10H14Se/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyBHLYTKXNEOBHAC-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.23
Rot. Bonds1

About tert-butylselanylbenzene

tert-butylselanylbenzene (PubChem CID 11171880) has the molecular formula C10H14Se and a molecular weight of 213.18 g/mol. Its IUPAC name is tert-butylselanylbenzene.

Molecular Properties

Compound Nametert-butylselanylbenzene
PubChem CID11171880
Molecular FormulaC10H14Se
Molecular Weight213.18 g/mol
Exact Mass214.03
IUPAC Nametert-butylselanylbenzene
SMILESCC(C)(C)[Se]c1ccccc1
InChIInChI=1S/C10H14Se/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyBHLYTKXNEOBHAC-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-phenylbutan-2-ylselanylbenzene
CID 12982285
1-phenyl-2,2,2-tris(phenylselanyl)ethanol
CID 12736557
1,1-diphenylethanamine
CID 12761172
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
phenylselanylbenzene;dihydrochloride
CID 173104242
phenylselanylbenzene;dihydrochloride
CID 87206847
CID 87732165
CID 87732165
methoxyselanylbenzene
CID 12890880
2-methylselanylpropan-2-ylbenzene
CID 13439737
CID 171375456
CID 171375456
phenyl selenohypochlorite
CID 21928
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of tert-butylselanylbenzene?
The IUPAC name of tert-butylselanylbenzene (CID 11171880) is tert-butylselanylbenzene.
What is the SMILES notation for tert-butylselanylbenzene?
The canonical SMILES for tert-butylselanylbenzene is CC(C)(C)[Se]c1ccccc1.
What is the InChIKey of tert-butylselanylbenzene?
The InChIKey is BHLYTKXNEOBHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Se/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of tert-butylselanylbenzene?
tert-butylselanylbenzene has a molecular weight of 213.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylselanylbenzene is sourced from PubChem (CID 11171880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).