cyclododecane

• ChemBase ID: 109470
• Molecular Formular: C12H24
• Molecular Mass: 168.31896
• Monoisotopic Mass: 168.18780077
• SMILES: C1CCCCCCCCCCC1
• Canonical SMILES: C1CCCCCCCCCCC1
• InChI: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
• InChIKey: DDTBPAQBQHZRDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclododecane
• IUPAC Traditional name: cyclododecane
• Synonyms: CYCLODODECANE

Database IDs

• CAS Number: 294-62-2
• PubChem SID: 162096281
• PubChem CID: 9268
• Chemspider ID: 8911
• Wikipedia Title: Cyclododecane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.334824
• LogD (pH = 7.4): 5.334824
• Log P: 5.334824
• Molar Refractivity: 55.212 cm^3
• Polarizability: 22.164503 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: white waxy solid
• Melting Point: 61°C
• Boiling Point: 243°C
• Flash Point: 87.6 °C
• Density: 0.79 g/cm^3

Safety Information

• RTECS: GU2295000