cycloocta-1,5-diene tetrakis(methanidylidyneoxidanium) tungsten

• ChemBase ID: 151078
• Molecular Formular: C12H12O4W
• Molecular Mass: 404.06128
• Monoisotopic Mass: 404.02448986
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CCCC=CC1.[W]
• Canonical SMILES: C1CC=CCCC=C1.[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[W]
• InChI: InChI=1S/C8H12.4CO.W/c1-2-4-6-8-7-5-3-1;4*1-2;/h1-2,7-8H,3-6H2
• InChIKey: URZAVABIRGHJEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloocta-1,5-diene tetrakis(methanidylidyneoxidanium) tungsten
• IUPAC Traditional name: 1,5-cyclooctadiene tetrakis(carbon monoxide) tungsten
• Synonyms: Tetracarbonyl(1,5-cyclooctadiene)tungsten(0); 1,5-环辛二烯四羰基钨(0)

Database IDs

• CAS Number: 12129-70-3
• MDL Number: MFCD01863670
• PubChem SID: 24873436; 162245236
• PubChem CID: 13197309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• Molar Refractivity: 39.0412 cm^3
• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-161 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C12H12O4W

DETAILS

Sigma Aldrich - 511285

Packaging
5 g in glass bottle