octylbis(propan-2-yl)silane

• ChemBase ID: 137552
• Molecular Formular: C14H32Si
• Molecular Mass: 228.48938
• Monoisotopic Mass: 228.22732756
• SMILES: CCCCCCCC[SiH](C(C)C)C(C)C
• Canonical SMILES: CCCCCCCC[SiH](C(C)C)C(C)C
• InChI: InChI=1S/C14H32Si/c1-6-7-8-9-10-11-12-15(13(2)3)14(4)5/h13-15H,6-12H2,1-5H3
• InChIKey: AELQFRLRNCJZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octylbis(propan-2-yl)silane
• IUPAC Traditional name: diisopropyl(octyl)silane
• Synonyms: Diisopropyloctylsilane

Database IDs

• CAS Number: 129536-19-2
• MDL Number: MFCD00192057
• PubChem SID: 162231814; 24864037
• PubChem CID: 16212451

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2143
• LogD (pH = 7.4): 4.2143
• Log P: 4.2143
• Molar Refractivity: 68.3057 cm^3
• Polarizability: 29.506691 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-85 °C/0.5 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.789 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)7SiH[CH(CH3)2]2