2-[(E)-5-methylsulfanylpent-3-enyl]oxirane

C8H14OS — CID 58906818

IUPAC2-[(E)-5-methylsulfanylpent-3-enyl]oxirane
SMILESCSC/C=C/CCC1CO1
InChIInChI=1S/C8H14OS/c1-10-6-4-2-3-5-8-7-9-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyUYTBRZFXFYEJOF-DUXPYHPUSA-N
MW158.27 g/mol
LogP2.08
Rot. Bonds5

About 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane

2-[(E)-5-methylsulfanylpent-3-enyl]oxirane (PubChem CID 58906818) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-5-methylsulfanylpent-3-enyl]oxirane
PubChem CID58906818
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-[(E)-5-methylsulfanylpent-3-enyl]oxirane
SMILESCSC/C=C/CCC1CO1
InChIInChI=1S/C8H14OS/c1-10-6-4-2-3-5-8-7-9-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyUYTBRZFXFYEJOF-DUXPYHPUSA-N
XLogP2.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane?
The IUPAC name of 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane (CID 58906818) is 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane.
What is the SMILES notation for 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane?
The canonical SMILES for 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane is CSC/C=C/CCC1CO1.
What is the InChIKey of 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane?
The InChIKey is UYTBRZFXFYEJOF-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14OS/c1-10-6-4-2-3-5-8-7-9-8/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane?
2-[(E)-5-methylsulfanylpent-3-enyl]oxirane has a molecular weight of 158.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-methylsulfanylpent-3-enyl]oxirane is sourced from PubChem (CID 58906818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).