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

• ChemBase ID: 147387
• Molecular Formular: C20H30Co
• Molecular Mass: 329.3854
• Monoisotopic Mass: 329.16794596
• SMILES: [Co+2].CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Co+2]
• InChI: InChI=1S/2C10H15.Co/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
• InChIKey: NGJVBICXQZVNEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-cobalt(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-cobalt(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: CoCp*2; Decamethylcobaltocene; Bis(pentamethylcyclopentadienyl)cobalt(II); 双(五甲基环戊烯)钴; 双(五甲基环戊二烯)钴(II)

Database IDs

• CAS Number: 74507-62-3
• MDL Number: MFCD02093610
• PubChem SID: 24864881; 162241575
• PubChem CID: 50919660

CALCULATED PROPERTIES

• Acid pKa: 16.574366
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• Molar Refractivity: 46.921 cm^3
• Polarizability: 17.660542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: >210 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C20H30Co

DETAILS

Sigma Aldrich - 401781

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