4-iodobutylselanylbenzene

C10H13ISe — CID 14316174

IUPAC4-iodobutylselanylbenzene
SMILESICCCC[Se]c1ccccc1
InChIInChI=1S/C10H13ISe/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXKGSGJUSXBBGSJ-UHFFFAOYSA-N
MW339.08 g/mol
LogP2.65
Rot. Bonds5

About 4-iodobutylselanylbenzene

4-iodobutylselanylbenzene (PubChem CID 14316174) has the molecular formula C10H13ISe and a molecular weight of 339.08 g/mol. Its IUPAC name is 4-iodobutylselanylbenzene.

Molecular Properties

Compound Name4-iodobutylselanylbenzene
PubChem CID14316174
Molecular FormulaC10H13ISe
Molecular Weight339.08 g/mol
Exact Mass339.92
IUPAC Name4-iodobutylselanylbenzene
SMILESICCCC[Se]c1ccccc1
InChIInChI=1S/C10H13ISe/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXKGSGJUSXBBGSJ-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.08
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-phenylselanylheptan-1-ol
CID 15062204
1-(11-phenylselanylundecyl)pyridin-1-ium
CID 141493542
2,5-bis(3-phenylselanylpropylamino)cyclohexa-2,5-diene-1,4-dione
CID 44521232
2-methyl-N-(3-phenylselanylpropyl)propan-1-imine
CID 15350949
7-iodoheptylbenzene
CID 14529673
3-(4-phenylselanylbutylamino)cyclopent-2-en-1-one
CID 11185906
3-phenylselanylpropanoyl chloride
CID 14105312
4-iodobutyl(triphenyl)phosphanium
CID 16760510
1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole
CID 46862313
N-methyl-N-[(Z)-(5-phenylselanyl-1-triphenylgermylpentylidene)amino]methanamine
CID 10674846
tert-butyl-dimethyl-[(Z)-7-phenylselanylhept-2-en-2-yl]oxysilane
CID 10927088
2-cyclohexylethylselanylbenzene
CID 170984114

Frequently Asked Questions

What is the IUPAC name of 4-iodobutylselanylbenzene?
The IUPAC name of 4-iodobutylselanylbenzene (CID 14316174) is 4-iodobutylselanylbenzene.
What is the SMILES notation for 4-iodobutylselanylbenzene?
The canonical SMILES for 4-iodobutylselanylbenzene is ICCCC[Se]c1ccccc1.
What is the InChIKey of 4-iodobutylselanylbenzene?
The InChIKey is XKGSGJUSXBBGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ISe/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 4-iodobutylselanylbenzene?
4-iodobutylselanylbenzene has a molecular weight of 339.08 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobutylselanylbenzene is sourced from PubChem (CID 14316174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).