[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane

C17H30SSe — CID 134923314

IUPAC[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
SMILESCC(C)=CC[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C17H30SSe/c1-14(2)10-11-19-17(18-13-15(3)4)12-16-8-6-5-7-9-16/h10,12,15-16H,5-9,11,13H2,1-4H3/b17-12+
InChIKeyUHIHQUUOYCKLIF-SFQUDFHCSA-N
MW345.45 g/mol
LogP5.89
Rot. Bonds7

About [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane

[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane (PubChem CID 134923314) has the molecular formula C17H30SSe and a molecular weight of 345.45 g/mol. Its IUPAC name is [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
PubChem CID134923314
Molecular FormulaC17H30SSe
Molecular Weight345.45 g/mol
Exact Mass346.12
IUPAC Name[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane
SMILESCC(C)=CC[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C17H30SSe/c1-14(2)10-11-19-17(18-13-15(3)4)12-16-8-6-5-7-9-16/h10,12,15-16H,5-9,11,13H2,1-4H3/b17-12+
InChIKeyUHIHQUUOYCKLIF-SFQUDFHCSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
The IUPAC name of [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane (CID 134923314) is [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
The canonical SMILES for [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane is CC(C)=CC[Se]/C(=C/C1CCCCC1)SCC(C)C.
What is the InChIKey of [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
The InChIKey is UHIHQUUOYCKLIF-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H30SSe/c1-14(2)10-11-19-17(18-13-15(3)4)12-16-8-6-5-7-9-16/h10,12,15-16H,5-9,11,13H2,1-4H3/b17-12+.
What are the key properties of [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane?
[(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane has a molecular weight of 345.45 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(3-methylbut-2-enylselanyl)-2-(2-methylpropylsulfanyl)ethenyl]cyclohexane is sourced from PubChem (CID 134923314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).