[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene

C13H18STe — CID 134987860

IUPAC[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
SMILESCCCC[Te]/C(=C\c1ccccc1)SC
InChIInChI=1S/C13H18STe/c1-3-4-10-15-13(14-2)11-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b13-11-
InChIKeyOMWPCNYJFSLOTE-QBFSEMIESA-N
MW333.95 g/mol
LogP4.27
Rot. Bonds6

About [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene

[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene (PubChem CID 134987860) has the molecular formula C13H18STe and a molecular weight of 333.95 g/mol. Its IUPAC name is [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
PubChem CID134987860
Molecular FormulaC13H18STe
Molecular Weight333.95 g/mol
Exact Mass336.02
IUPAC Name[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
SMILESCCCC[Te]/C(=C\c1ccccc1)SC
InChIInChI=1S/C13H18STe/c1-3-4-10-15-13(14-2)11-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b13-11-
InChIKeyOMWPCNYJFSLOTE-QBFSEMIESA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(E)-1-butyltellanyl-2-phenylethenyl]stannane
CID 10507405
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
2-chloropent-1-enylbenzene
CID 54481517
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
[(E)-1-methylsulfanylhept-1-enyl]tellanylbenzene
CID 11046275
1-butyltellanylethenylbenzene
CID 11822305
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
CID 135082590
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylidenehexanoic acid
CID 5354388

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene?
The IUPAC name of [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene (CID 134987860) is [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene.
What is the SMILES notation for [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene?
The canonical SMILES for [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene is CCCC[Te]/C(=C\c1ccccc1)SC.
What is the InChIKey of [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene?
The InChIKey is OMWPCNYJFSLOTE-QBFSEMIESA-N. The full InChI is InChI=1S/C13H18STe/c1-3-4-10-15-13(14-2)11-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b13-11-.
What are the key properties of [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene?
[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene has a molecular weight of 333.95 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene is sourced from PubChem (CID 134987860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).