(1Z,5Z)-cycloocta-1,5-diene; diphenylplatinum

• ChemBase ID: 303751
• Molecular Formular: C20H22Pt
• Molecular Mass: 457.46668
• Monoisotopic Mass: 457.1369417
• SMILES: [Pt](c1ccccc1)c1ccccc1.C1C=CCCC=CC1
• Canonical SMILES: C1CC=CCCC=C1.c1ccc(cc1)[Pt]c1ccccc1
• InChI: InChI=1S/C8H12.2C6H5.Pt/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;/h1-2,7-8H,3-6H2;2*1-5H;/b2-1-,8-7-
• InChIKey: LSFNMCIXIOGJSD-PHFPKPIQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z,5Z)-cycloocta-1,5-diene; diphenylplatinum
• IUPAC Traditional name: 1,5-cyclooctadiene, (Z,Z)-; diphenylplatinum
• Synonyms: Diphenyl(1,5-cyclooctadiene)platinum(II); (1,5-环辛二烯)二苯基铂(II)

Database IDs

• CAS Number: 12277-88-2
• MDL Number: MFCD03788255

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2344
• LogD (pH = 7.4): 3.2344
• Log P: 3.2344
• Molar Refractivity: 50.9486 cm^3
• Polarizability: 26.627104 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A