uranium(4+) ion bis((1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,5-diide)

• ChemBase ID: 130091
• Molecular Formular: C16H12U
• Molecular Mass: 442.29539
• Monoisotopic Mass: 442.14468838
• SMILES: [U+4].[C-]1=CC=C[C-]=CC=C1.[C-]1=CC=C[C-]=CC=C1
• Canonical SMILES: [C-]1=CC=C[C-]=CC=C1.[C-]1=CC=C[C-]=CC=C1.[U+4]
• InChI: InChI=1S/2C8H6.U/c2*1-2-4-6-8-7-5-3-1;/h2*1-3,6-8H;/q2*-2;+4/b2*2-1-,3-1-,8-6-,8-7-
• InChIKey: KFOPDLKCESMWPW-HKGNRZRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: uranium(4+) ion bis((1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,5-diide)
• IUPAC Traditional name: uranium(4+) ion bis((1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,5-diide)
• Synonyms: Uranium cyclooctatetraenide; U(COT)₂; Uranocene

Database IDs

• CAS Number: 11079-26-8
• PubChem SID: 162224376
• PubChem CID: 71308294; 139204
• Wikipedia Title: Uranocene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5972
• LogD (pH = 7.4): 1.5972
• Log P: 2.1088626
• Molar Refractivity: 36.3558 cm^3
• Polarizability: 12.981085 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: green crystals

Safety Information

• Main Hazard: ignites in air