1-butyltellanyl-4-nitrobenzene

C10H13NO2Te — CID 11709306

IUPAC1-butyltellanyl-4-nitrobenzene
SMILESCCCC[Te]c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13NO2Te/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChIKeyJEIQXPGJLLOSTL-UHFFFAOYSA-N
MW306.82 g/mol
LogP2.14
Rot. Bonds5

About 1-butyltellanyl-4-nitrobenzene

1-butyltellanyl-4-nitrobenzene (PubChem CID 11709306) has the molecular formula C10H13NO2Te and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-butyltellanyl-4-nitrobenzene.

Molecular Properties

Compound Name1-butyltellanyl-4-nitrobenzene
PubChem CID11709306
Molecular FormulaC10H13NO2Te
Molecular Weight306.82 g/mol
Exact Mass309.00
IUPAC Name1-butyltellanyl-4-nitrobenzene
SMILESCCCC[Te]c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13NO2Te/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChIKeyJEIQXPGJLLOSTL-UHFFFAOYSA-N
XLogP2.14
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromotetradecane;4-nitrobenzenethiol
CID 174616685
1-butylsulfanyl-4-nitrobenzene
CID 12617397
1-[(R)-butylsulfinyl]-4-nitrobenzene
CID 124629789
1-hexan-2-yl-4-nitrobenzene
CID 57119541
1-nitro-4-octadecoxybenzene
CID 4258205
1-butylsulfinyl-4-nitrobenzene
CID 12617400
N-hexyl-N-[4-(4-nitrophenyl)butyl]hexan-1-amine
CID 12923057
ethane;1-nitro-4-propylbenzene
CID 123575523
1-dodecylsulfanyl-4-nitrobenzene
CID 13010698
1-hexylsulfanyl-4-nitrobenzene
CID 13010697
1-chloropentane;4-nitrophenol
CID 175271620
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518

Frequently Asked Questions

What is the IUPAC name of 1-butyltellanyl-4-nitrobenzene?
The IUPAC name of 1-butyltellanyl-4-nitrobenzene (CID 11709306) is 1-butyltellanyl-4-nitrobenzene.
What is the SMILES notation for 1-butyltellanyl-4-nitrobenzene?
The canonical SMILES for 1-butyltellanyl-4-nitrobenzene is CCCC[Te]c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-butyltellanyl-4-nitrobenzene?
The InChIKey is JEIQXPGJLLOSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2Te/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-butyltellanyl-4-nitrobenzene?
1-butyltellanyl-4-nitrobenzene has a molecular weight of 306.82 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyltellanyl-4-nitrobenzene is sourced from PubChem (CID 11709306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).