11-oxabicyclo[8.1.0]undecane

• ChemBase ID: 158141
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C1CCCCC2C(O2)CCC1
• Canonical SMILES: C1CCCCC2C(CCC1)O2
• InChI: InChI=1S/C10H18O/c1-2-4-6-8-10-9(11-10)7-5-3-1/h9-10H,1-8H2
• InChIKey: AFCZSFUPWLSMSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-oxabicyclo[8.1.0]undecane
• IUPAC Traditional name: 11-oxabicyclo[8.1.0]undecane
• Synonyms: 1,2-Epoxycyclodecane; Cyclodecene oxide; 1,2-环氧环癸烷; 环癸烯氧化物

Database IDs

• CAS Number: 286-94-2
• MDL Number: MFCD01862897
• Beilstein Number: 104995
• PubChem SID: 162252277; 24846454
• PubChem CID: 122415

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1457682
• LogD (pH = 7.4): 3.1457682
• Log P: 3.1457682
• Molar Refractivity: 45.5309 cm^3
• Polarizability: 18.385763 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.962 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.484

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥96.0% (GC)
• Empirical Formula (Hill Notation): C10H18O