[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane

C13H24SSe — CID 134923277

IUPAC[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(=C/C1CCCCC1)[Se]CC(C)C
InChIInChI=1S/C13H24SSe/c1-11(2)10-15-13(14-3)9-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3/b13-9-
InChIKeyFOKRHOPJWQVRTE-LCYFTJDESA-N
MW291.36 g/mol
LogP4.55
Rot. Bonds5

About [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane

[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane (PubChem CID 134923277) has the molecular formula C13H24SSe and a molecular weight of 291.36 g/mol. Its IUPAC name is [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
PubChem CID134923277
Molecular FormulaC13H24SSe
Molecular Weight291.36 g/mol
Exact Mass292.08
IUPAC Name[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(=C/C1CCCCC1)[Se]CC(C)C
InChIInChI=1S/C13H24SSe/c1-11(2)10-15-13(14-3)9-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3/b13-9-
InChIKeyFOKRHOPJWQVRTE-LCYFTJDESA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane
CID 11259358
lithium (Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134873087
lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
CID 134873206
Chlorozinc(1+);2-methylsulfanylethenylcyclohexane
CID 134874013
lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134893980
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134919600
[(E)-2-ethylsulfanyl-2-(2-methylpropylselanyl)ethenyl]cyclohexane
CID 134919703
[(E)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134919893
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134923104
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
CID 134923117

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane?
The IUPAC name of [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane (CID 134923277) is [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane.
What is the SMILES notation for [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane?
The canonical SMILES for [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane is CS/C(=C/C1CCCCC1)[Se]CC(C)C.
What is the InChIKey of [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane?
The InChIKey is FOKRHOPJWQVRTE-LCYFTJDESA-N. The full InChI is InChI=1S/C13H24SSe/c1-11(2)10-15-13(14-3)9-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3/b13-9-.
What are the key properties of [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane?
[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane has a molecular weight of 291.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane is sourced from PubChem (CID 134923277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).