16-oxabicyclo[13.1.0]hexadecane

• ChemBase ID: 295678
• Molecular Formular: C15H28O
• Molecular Mass: 224.38222
• Monoisotopic Mass: 224.21401552
• SMILES: C1CCCCCCC2C(O2)CCCCCC1
• Canonical SMILES: C1CCCCCC2OC2CCCCCCC1
• InChI: InChI=1S/C15H28O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h14-15H,1-13H2
• InChIKey: DAJSMXMRMNHEBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 16-oxabicyclo[13.1.0]hexadecane
• IUPAC Traditional name: 16-oxabicyclo[13.1.0]hexadecane
• Synonyms: Epoxycyclopentadecane; Cyclopentadecene oxide, cis + trans; 环十五(碳)烯氧化物,顺式+反式

Database IDs

• MDL Number: MFCD01631303
• PubChem SID: 180681209
• PubChem CID: 12404774

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3686113
• LogD (pH = 7.4): 5.3686113
• Log P: 5.3686113
• Molar Refractivity: 68.5359 cm^3
• Polarizability: 27.612001 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 55-59°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%