(E)-cyclododecene

• ChemBase ID: 120494
• Molecular Formular: C12H22
• Molecular Mass: 166.30308
• Monoisotopic Mass: 166.1721507
• SMILES: C1=CCCCCCCCCCC1
• Canonical SMILES: C1CCCCCC=CCCCC1
• InChI: InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1+
• InChIKey: HYPABJGVBDSCIT-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-cyclododecene
• IUPAC Traditional name: (E)-cyclododecene
• Synonyms: (E)-cyclododecene; Cyclododecene; 环十二烯

Database IDs

• CAS Number: 1501-82-2
• EC Number: 216-117-7
• MDL Number: MFCD00003721
• PubChem SID: 162214847
• PubChem CID: 5365627

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9729023
• LogD (pH = 7.4): 4.9729023
• Log P: 4.9729023
• Molar Refractivity: 56.3286 cm^3
• Polarizability: 21.934963 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 240°C
• Flash Point: 93°C(199°F)
• Density: 0.863
• Refractive Index: 1.4882

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%
• Classification: Derivatives & analogs of Natural Compounds