Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate

C14H24OSSe — CID 134923313

IUPACSe-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate
SMILESCC(=O)[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C14H24OSSe/c1-11(2)10-16-14(17-12(3)15)9-13-7-5-4-6-8-13/h9,11,13H,4-8,10H2,1-3H3/b14-9+
InChIKeyJQZHKSDZQJKOAU-NTEUORMPSA-N
MW319.37 g/mol
LogP4.05
Rot. Bonds6

About Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate

Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate (PubChem CID 134923313) has the molecular formula C14H24OSSe and a molecular weight of 319.37 g/mol. Its IUPAC name is Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate.

Molecular Properties

Compound NameSe-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate
PubChem CID134923313
Molecular FormulaC14H24OSSe
Molecular Weight319.37 g/mol
Exact Mass320.07
IUPAC NameSe-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate
SMILESCC(=O)[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C14H24OSSe/c1-11(2)10-16-14(17-12(3)15)9-13-7-5-4-6-8-13/h9,11,13H,4-8,10H2,1-3H3/b14-9+
InChIKeyJQZHKSDZQJKOAU-NTEUORMPSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(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
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134923104
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
CID 134923117
[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
CID 134986632
[(Z)-2-butylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134987285
[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane
CID 134987861
S-[(1S)-1-cyclohexylprop-2-enyl] ethanethioate
CID 71663483
S-[(Z)-2-acetylsulfanyl-2-cyclohexylethenyl] ethanethioate
CID 101107002

Frequently Asked Questions

What is the IUPAC name of Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate?
The IUPAC name of Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate (CID 134923313) is Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate.
What is the SMILES notation for Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate?
The canonical SMILES for Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate is CC(=O)[Se]/C(=C/C1CCCCC1)SCC(C)C.
What is the InChIKey of Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate?
The InChIKey is JQZHKSDZQJKOAU-NTEUORMPSA-N. The full InChI is InChI=1S/C14H24OSSe/c1-11(2)10-16-14(17-12(3)15)9-13-7-5-4-6-8-13/h9,11,13H,4-8,10H2,1-3H3/b14-9+.
What are the key properties of Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate?
Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate has a molecular weight of 319.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate is sourced from PubChem (CID 134923313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).