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

C17H30SSe — CID 134923101

IUPAC[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane
SMILESCCCCS/C(=C\C1CCCCC1)[Se]CC=C(C)C
InChIInChI=1S/C17H30SSe/c1-4-5-12-18-17(19-13-11-15(2)3)14-16-9-7-6-8-10-16/h11,14,16H,4-10,12-13H2,1-3H3/b17-14+
InChIKeyJYHZMQSMIBLQSN-SAPNQHFASA-N
MW345.45 g/mol
LogP6.03
Rot. Bonds8

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

[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane (PubChem CID 134923101) has the molecular formula C17H30SSe and a molecular weight of 345.45 g/mol. Its IUPAC name is [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane
PubChem CID134923101
Molecular FormulaC17H30SSe
Molecular Weight345.45 g/mol
Exact Mass346.12
IUPAC Name[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane
SMILESCCCCS/C(=C\C1CCCCC1)[Se]CC=C(C)C
InChIInChI=1S/C17H30SSe/c1-4-5-12-18-17(19-13-11-15(2)3)14-16-9-7-6-8-10-16/h11,14,16H,4-10,12-13H2,1-3H3/b17-14+
InChIKeyJYHZMQSMIBLQSN-SAPNQHFASA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 56.03
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane?
The IUPAC name of [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane (CID 134923101) is [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane?
The canonical SMILES for [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane is CCCCS/C(=C\C1CCCCC1)[Se]CC=C(C)C.
What is the InChIKey of [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane?
The InChIKey is JYHZMQSMIBLQSN-SAPNQHFASA-N. The full InChI is InChI=1S/C17H30SSe/c1-4-5-12-18-17(19-13-11-15(2)3)14-16-9-7-6-8-10-16/h11,14,16H,4-10,12-13H2,1-3H3/b17-14+.
What are the key properties of [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane?
[(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane has a molecular weight of 345.45 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-butylsulfanyl-2-(3-methylbut-2-enylselanyl)ethenyl]cyclohexane is sourced from PubChem (CID 134923101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).