λ2-cobalt(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 147021
• Molecular Formular: C14H18Co
• Molecular Mass: 245.22592
• Monoisotopic Mass: 245.07404558
• SMILES: CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[Co+2]
• Canonical SMILES: CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[Co+2]
• InChI: InChI=1S/2C7H9.Co/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2
• InChIKey: CIXQIEOCFNVARN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
• Synonyms: (EtCp)2Co; 1,1′-Diethylcobaltocene; Bis(ethylcyclopentadienyl)cobalt(II); 双(乙基环戊二烯)钴(II)

Database IDs

• CAS Number: 55940-05-1
• MDL Number: MFCD01863655
• PubChem SID: 24873522; 162241213
• PubChem CID: 71311250

CALCULATED PROPERTIES

• Acid pKa: 16.09564
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.18693
• LogD (pH = 7.4): 2.18693
• Log P: 3.1115
• Molar Refractivity: 31.3572 cm^3
• Polarizability: 12.389141 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.516 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C14H18Co

DETAILS

Sigma Aldrich - 510645

General description
Atomic number of base material: 27 Cobalt
Packaging
1, 5 g in glass bottle