Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate

C14H24OSSe — CID 134923100

IUPACSe-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate
SMILESCCCCS/C(=C/C1CCCCC1)[Se]C(C)=O
InChIInChI=1S/C14H24OSSe/c1-3-4-10-16-14(17-12(2)15)11-13-8-6-5-7-9-13/h11,13H,3-10H2,1-2H3/b14-11-
InChIKeyNFSAQHIXCKAILJ-KAMYIIQDSA-N
MW319.37 g/mol
LogP4.19
Rot. Bonds7

About Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate

Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate (PubChem CID 134923100) has the molecular formula C14H24OSSe and a molecular weight of 319.37 g/mol. Its IUPAC name is Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate.

Molecular Properties

Compound NameSe-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate
PubChem CID134923100
Molecular FormulaC14H24OSSe
Molecular Weight319.37 g/mol
Exact Mass320.07
IUPAC NameSe-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate
SMILESCCCCS/C(=C/C1CCCCC1)[Se]C(C)=O
InChIInChI=1S/C14H24OSSe/c1-3-4-10-16-14(17-12(2)15)11-13-8-6-5-7-9-13/h11,13H,3-10H2,1-2H3/b14-11-
InChIKeyNFSAQHIXCKAILJ-KAMYIIQDSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(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
Se-[(E)-2-cyclohexyl-1-(2-methylpropylsulfanyl)ethenyl] ethaneselenoate
CID 134923313
[(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-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate?
The IUPAC name of Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate (CID 134923100) is Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate.
What is the SMILES notation for Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate?
The canonical SMILES for Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate is CCCCS/C(=C/C1CCCCC1)[Se]C(C)=O.
What is the InChIKey of Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate?
The InChIKey is NFSAQHIXCKAILJ-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H24OSSe/c1-3-4-10-16-14(17-12(2)15)11-13-8-6-5-7-9-13/h11,13H,3-10H2,1-2H3/b14-11-.
What are the key properties of Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate?
Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate has a molecular weight of 319.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate is sourced from PubChem (CID 134923100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).