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

• ChemBase ID: 134528
• Molecular Formular: C20H30V
• Molecular Mass: 321.3937
• Monoisotopic Mass: 321.17871046
• SMILES: CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C.[V+2]
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[V+2]
• InChI: InChI=1S/2C10H15.V/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
• InChIKey: ZOLQFTGJOHLXHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: vanadium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: vanadium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Bis(pentamethylcyclopentadienyl)vanadium(II); 双(五甲基环戊二烯)钒(II)

Database IDs

• CAS Number: 74507-60-1
• MDL Number: MFCD04974079
• PubChem SID: 162228804; 24880728
• PubChem CID: 50919679

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

• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C20H30V