ethylidenecyclooctane

• ChemBase ID: 111455
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CC=C1CCCCCCC1
• Canonical SMILES: CC=C1CCCCCCC1
• InChI: InChI=1S/C10H18/c1-2-10-8-6-4-3-5-7-9-10/h2H,3-9H2,1H3
• InChIKey: WSOKCFIRHYCWJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylidenecyclooctane
• IUPAC Traditional name: ethylidenecyclooctane
• Synonyms: ETHYLIDENECYCLOOCTANE

Database IDs

• CAS Number: 19780-51-9
• PubChem SID: 162096648
• PubChem CID: 140587

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8825576
• LogD (pH = 7.4): 3.8825576
• Log P: 3.8825576
• Molar Refractivity: 46.8076 cm^3
• Polarizability: 18.241005 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:29

DETAILS

MP Biomedicals - 05219261

MP Biomedicals Rare Chemical collection