dimethylbis(2-methyl-1H-inden-1-yl)silane

• ChemBase ID: 136881
• Molecular Formular: C22H24Si
• Molecular Mass: 316.51146
• Monoisotopic Mass: 316.1647273
• SMILES: CC1=Cc2ccccc2C1[Si](C)(C)C1c2ccccc2C=C1C
• Canonical SMILES: CC1=Cc2c(C1[Si](C1C(=Cc3c1cccc3)C)(C)C)cccc2
• InChI: InChI=1S/C22H24Si/c1-15-13-17-9-5-7-11-19(17)21(15)23(3,4)22-16(2)14-18-10-6-8-12-20(18)22/h5-14,21-22H,1-4H3
• InChIKey: XXHUSANMBSHRKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylbis(2-methyl-1H-inden-1-yl)silane
• IUPAC Traditional name: dimethylbis(2-methyl-1H-inden-1-yl)silane
• Synonyms: Dimethylbis(2-methyl-1H-inden-1-yl)silane; 二甲基双(2-甲基-1H-茚-1-基)硅烷

Database IDs

• CAS Number: 143232-13-7
• MDL Number: MFCD01321237
• PubChem SID: 162231148
• PubChem CID: 4050248

CALCULATED PROPERTIES

• Acid pKa: 18.440062
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8642
• LogD (pH = 7.4): 6.8642
• Log P: 6.8642
• Molar Refractivity: 97.2692 cm^3
• Polarizability: 39.602673 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 92-99 °C(lit.)

Safety Information

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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C22H24Si