2-(2-methylprop-2-enylsulfonyl)oxane

C₉H₁₆O₃S — CID 162418091

About 2-(2-methylprop-2-enylsulfonyl)oxane

2-(2-methylprop-2-enylsulfonyl)oxane (PubChem CID 162418091) has the molecular formula C₉H₁₆O₃S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfonyl)oxane.

Molecular Properties

• Compound Name: 2-(2-methylprop-2-enylsulfonyl)oxane
• PubChem CID: 162418091
• Molecular Formula: C₉H₁₆O₃S
• Molecular Weight: 204.29 g/mol
• Exact Mass: 204.08
• IUPAC Name: 2-(2-methylprop-2-enylsulfonyl)oxane
• SMILES: C=C(C)CS(=O)(=O)C1CCCCO1
• InChI: InChI=1S/C9H16O3S/c1-8(2)7-13(10,11)9-5-3-4-6-12-9/h9H,1,3-7H2,2H3
• InChIKey: IRIVQRFOEIALEW-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	204.29
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfonyl)oxane?

The IUPAC name of 2-(2-methylprop-2-enylsulfonyl)oxane (CID 162418091) is 2-(2-methylprop-2-enylsulfonyl)oxane.

What is the SMILES notation for 2-(2-methylprop-2-enylsulfonyl)oxane?

The canonical SMILES for 2-(2-methylprop-2-enylsulfonyl)oxane is C=C(C)CS(=O)(=O)C1CCCCO1.

What is the InChIKey of 2-(2-methylprop-2-enylsulfonyl)oxane?

The InChIKey is IRIVQRFOEIALEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-8(2)7-13(10,11)9-5-3-4-6-12-9/h9H,1,3-7H2,2H3.

What are the key properties of 2-(2-methylprop-2-enylsulfonyl)oxane?

2-(2-methylprop-2-enylsulfonyl)oxane has a molecular weight of 204.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylprop-2-enylsulfonyl)oxane is sourced from PubChem (CID 162418091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162418091 — identifiers, structure, computed properties (public domain)

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