[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane

C11H20SSe — CID 134923104

IUPAC[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
SMILESCCS/C(=C/C1CCCCC1)[Se]C
InChIInChI=1S/C11H20SSe/c1-3-12-11(13-2)9-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/b11-9-
InChIKeyOBGCCEBVRFKUHE-LUAWRHEFSA-N
MW263.31 g/mol
LogP3.91
Rot. Bonds4

About [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane

[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane (PubChem CID 134923104) has the molecular formula C11H20SSe and a molecular weight of 263.31 g/mol. Its IUPAC name is [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
PubChem CID134923104
Molecular FormulaC11H20SSe
Molecular Weight263.31 g/mol
Exact Mass264.05
IUPAC Name[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
SMILESCCS/C(=C/C1CCCCC1)[Se]C
InChIInChI=1S/C11H20SSe/c1-3-12-11(13-2)9-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/b11-9-
InChIKeyOBGCCEBVRFKUHE-LUAWRHEFSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.91
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

1-Pentylsulfanylethenylcyclohexane
CID 58150596
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
[2,2-Bis(ethylsulfanyl)ethenyl]cyclohexane
CID 71354337
lithium (Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134873087
lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134893980
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
(E)-1-ethylsulfanyl-1-(2-methylpropylselanyl)oct-1-ene
CID 134919505
[(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
Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate
CID 134923100
[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane
CID 134923101

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane?
The IUPAC name of [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane (CID 134923104) is [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane.
What is the SMILES notation for [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane?
The canonical SMILES for [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane is CCS/C(=C/C1CCCCC1)[Se]C.
What is the InChIKey of [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane?
The InChIKey is OBGCCEBVRFKUHE-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H20SSe/c1-3-12-11(13-2)9-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/b11-9-.
What are the key properties of [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane?
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane has a molecular weight of 263.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane is sourced from PubChem (CID 134923104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).