[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane

C13H24SSe — CID 134923117

IUPAC[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
SMILESC[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C13H24SSe/c1-11(2)10-14-13(15-3)9-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3/b13-9+
InChIKeyYZGYETPJQCKLPV-UKTHLTGXSA-N
MW291.36 g/mol
LogP4.55
Rot. Bonds5

About [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane

[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane (PubChem CID 134923117) has the molecular formula C13H24SSe and a molecular weight of 291.36 g/mol. Its IUPAC name is [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
PubChem CID134923117
Molecular FormulaC13H24SSe
Molecular Weight291.36 g/mol
Exact Mass292.08
IUPAC Name[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
SMILESC[Se]/C(=C/C1CCCCC1)SCC(C)C
InChIInChI=1S/C13H24SSe/c1-11(2)10-14-13(15-3)9-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3/b13-9+
InChIKeyYZGYETPJQCKLPV-UKTHLTGXSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane?
The IUPAC name of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane (CID 134923117) is [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane?
The canonical SMILES for [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane is C[Se]/C(=C/C1CCCCC1)SCC(C)C.
What is the InChIKey of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane?
The InChIKey is YZGYETPJQCKLPV-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H24SSe/c1-11(2)10-14-13(15-3)9-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3/b13-9+.
What are the key properties of [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane?
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane has a molecular weight of 291.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane is sourced from PubChem (CID 134923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).