cyclotetradeca-1,3,5,7,9,11,13-heptaene

• ChemBase ID: 126825
• Molecular Formular: C14H14
• Molecular Mass: 182.26096
• Monoisotopic Mass: 182.10955045
• SMILES: c\1c\cc/cc\cc/cc\cc/cc1
• Canonical SMILES: c\1c\cc/cc\cc/cc\cc/cc1
• InChI: InChI=1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8-,11-9-,12-10-,13-11-,14-12-,14-13-
• InChIKey: RYQWRHUSMUEYST-IKMOXOOUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclotetradeca-1,3,5,7,9,11,13-heptaene
• IUPAC Traditional name: cyclotetradecaheptaene
• Synonyms: [14]Annulene; Cyclotetradecaheptaene

Database IDs

• CAS Number: 2873-14-5
• PubChem SID: 162221152
• PubChem CID: 11988275
• CHEBI ID: 37523
• Chemspider ID: 10160742
• Wikipedia Title: Cyclotetradecaheptaene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6042404
• LogD (pH = 7.4): 4.6042404
• Log P: 4.6042404
• Molar Refractivity: 60.802 cm^3
• Polarizability: 24.276537 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in benzene

Safety Information

• Main Hazard: Flammable, reactive