[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane

C14H26SSe — CID 134986632

IUPAC[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
SMILESCC[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C14H26SSe/c1-4-16-14(15-11-12(2)3)10-13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3/b14-10+
InChIKeyDALBLWZENVOYGG-GXDHUFHOSA-N
MW305.39 g/mol
LogP4.94
Rot. Bonds6

About [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane

[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane (PubChem CID 134986632) has the molecular formula C14H26SSe and a molecular weight of 305.39 g/mol. Its IUPAC name is [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
PubChem CID134986632
Molecular FormulaC14H26SSe
Molecular Weight305.39 g/mol
Exact Mass306.09
IUPAC Name[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
SMILESCC[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C14H26SSe/c1-4-16-14(15-11-12(2)3)10-13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3/b14-10+
InChIKeyDALBLWZENVOYGG-GXDHUFHOSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.94
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
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 [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
The IUPAC name of [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane (CID 134986632) is [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
The canonical SMILES for [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane is CC[Se]/C(=C/C1CCCCC1)SCC(C)C.
What is the InChIKey of [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
The InChIKey is DALBLWZENVOYGG-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H26SSe/c1-4-16-14(15-11-12(2)3)10-13-8-6-5-7-9-13/h10,12-13H,4-9,11H2,1-3H3/b14-10+.
What are the key properties of [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
[(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane has a molecular weight of 305.39 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethylselanyl-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane is sourced from PubChem (CID 134986632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).