[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane

C14H26SSe — CID 134987861

IUPAC[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane
SMILESCCCCS/C(=C/C1CCCCC1)[Se]CC
InChIInChI=1S/C14H26SSe/c1-3-5-11-15-14(16-4-2)12-13-9-7-6-8-10-13/h12-13H,3-11H2,1-2H3/b14-12-
InChIKeyBBUJCROAKVRNHC-OWBHPGMISA-N
MW305.39 g/mol
LogP5.08
Rot. Bonds7

About [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane

[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane (PubChem CID 134987861) has the molecular formula C14H26SSe and a molecular weight of 305.39 g/mol. Its IUPAC name is [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane
PubChem CID134987861
Molecular FormulaC14H26SSe
Molecular Weight305.39 g/mol
Exact Mass306.09
IUPAC Name[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane
SMILESCCCCS/C(=C/C1CCCCC1)[Se]CC
InChIInChI=1S/C14H26SSe/c1-3-5-11-15-14(16-4-2)12-13-9-7-6-8-10-13/h12-13H,3-11H2,1-2H3/b14-12-
InChIKeyBBUJCROAKVRNHC-OWBHPGMISA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Pentylsulfanylethenylcyclohexane
CID 58150596
1-Methylsulfanylethenylcyclohexane
CID 85970191
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
[2,2-Bis(ethylsulfanyl)ethenyl]cyclohexane
CID 71354337
2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
[(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
Se-[(Z)-1-butylsulfanyl-2-cyclohexylethenyl] ethaneselenoate
CID 134923100
[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane
CID 134923101
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134923104

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane?
The IUPAC name of [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane (CID 134987861) is [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane.
What is the SMILES notation for [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane?
The canonical SMILES for [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane is CCCCS/C(=C/C1CCCCC1)[Se]CC.
What is the InChIKey of [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane?
The InChIKey is BBUJCROAKVRNHC-OWBHPGMISA-N. The full InChI is InChI=1S/C14H26SSe/c1-3-5-11-15-14(16-4-2)12-13-9-7-6-8-10-13/h12-13H,3-11H2,1-2H3/b14-12-.
What are the key properties of [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane?
[(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane has a molecular weight of 305.39 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-butylsulfanyl-2-ethylselanylethenyl]cyclohexane is sourced from PubChem (CID 134987861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).