2,3,4-trisila-1,5,6,7,8-pentatitanaheptacyclo[3.3.0.0^{1,4}.0^{2,4}.0^{2,8}.0^{3,6}.0^{3,7}]octane

• ChemBase ID: 111387
• Molecular Formular: Si3Ti5
• Molecular Mass: 323.5915
• Monoisotopic Mass: 323.6705111
• SMILES: [Ti]12[Ti]3[Ti]4[Ti]56[Ti]1[Si]15[Si]23[Si]461
• Canonical SMILES: [Ti]12[Ti]3[Si]42[Si]25[Ti]1[Ti]12[Ti]3[Si]451
• InChI: InChI=1S/Si3.5Ti/c1-2-3-1
• InChIKey: NNWQGTUHWMIVCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-trisila-1,5,6,7,8-pentatitanaheptacyclo[3.3.0.0^{1,4}.0^{2,4}.0^{2,8}.0^{3,6}.0^{3,7}]octane
• IUPAC Traditional name: 2,3,4-trisila-1,5,6,7,8-pentatitanaheptacyclo[3.3.0.0^{1,4}.0^{2,4}.0^{2,8}.0^{3,6}.0^{3,7}]octane
• Synonyms: TITANIUM SILICIDE

Database IDs

• CAS Number: 12067-57-1
• PubChem SID: 162097179
• PubChem CID: 71299779

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.368
• LogD (pH = 7.4): -1.368
• Log P: -1.368
• Molar Refractivity: 0.0 cm^3
• Polarizability: 21.221676 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:17
• Safety Statements: S:29

DETAILS

MP Biomedicals - 05218965

MP Biomedicals Rare Chemical collection