Cyclohexene oxide

C6H10O — CID 9246

About Cyclohexene oxide

Cyclohexene oxide (PubChem CID 9246) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptane.

Molecular Properties

• Compound Name: Cyclohexene oxide
• PubChem CID: 9246
• Molecular Formula: C6H10O
• Molecular Weight: 98.14 g/mol
• Exact Mass: 98.07
• IUPAC Name: 7-oxabicyclo[4.1.0]heptane
• SMILES: C1CCC2C(C1)O2
• InChIKey: ZWAJLVLEBYIOTI-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 12.50 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 1
• Rotatable Bonds: 0
• Heavy Atoms: 7
• Complexity: 70

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	98.14
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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