manganese(2+) ion bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 151596
• Molecular Formular: C18H26Mn
• Molecular Mass: 297.337089
• Monoisotopic Mass: 297.14149593
• SMILES: CC1=C(C(=C([CH-]1)C)C)C.[Mn+2].CC1=C(C(=C(C)[CH-]1)C)C
• Canonical SMILES: CC1=C(C)C(=C([CH-]1)C)C.CC1=C(C)C(=C([CH-]1)C)C.[Mn+2]
• InChI: InChI=1S/2C9H13.Mn/c2*1-6-5-7(2)9(4)8(6)3;/h2*5H,1-4H3;/q2*-1;+2
• InChIKey: JRSFFHHYSLCPQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: manganese(2+) ion bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Bis(tetramethylcyclopentadienyl)manganese(II); 双(四甲基环戊二烯)锰(II)

Database IDs

• CAS Number: 101932-75-6
• MDL Number: MFCD01862454
• PubChem SID: 24880033; 162245748
• PubChem CID: 6096208

CALCULATED PROPERTIES

• Acid pKa: 16.327389
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.472445
• LogD (pH = 7.4): 2.472445
• Log P: 4.1168
• Molar Refractivity: 41.8798 cm^3
• Polarizability: 15.815795 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: 98-112 °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): C18H26Mn