[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane

C10H18SSe — CID 134919600

IUPAC[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(=C\C1CCCCC1)[Se]C
InChIInChI=1S/C10H18SSe/c1-11-10(12-2)8-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeyFIHHLZKQNUGQDO-CSKARUKUSA-N
MW249.28 g/mol
LogP3.52
Rot. Bonds3

About [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane

[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane (PubChem CID 134919600) has the molecular formula C10H18SSe and a molecular weight of 249.28 g/mol. Its IUPAC name is [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
PubChem CID134919600
Molecular FormulaC10H18SSe
Molecular Weight249.28 g/mol
Exact Mass250.03
IUPAC Name[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
SMILESCS/C(=C\C1CCCCC1)[Se]C
InChIInChI=1S/C10H18SSe/c1-11-10(12-2)8-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeyFIHHLZKQNUGQDO-CSKARUKUSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.52
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-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
(Z)-1-(2-methylpropylselanyl)-1-methylsulfanyloct-1-ene
CID 134923144

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane?
The IUPAC name of [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane (CID 134919600) is [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane?
The canonical SMILES for [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane is CS/C(=C\C1CCCCC1)[Se]C.
What is the InChIKey of [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane?
The InChIKey is FIHHLZKQNUGQDO-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18SSe/c1-11-10(12-2)8-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3/b10-8+.
What are the key properties of [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane?
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane has a molecular weight of 249.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane is sourced from PubChem (CID 134919600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).