2,7-dimethyl-5-silaspiro[4.4]nona-2,7-diene

• ChemBase ID: 138449
• Molecular Formular: C10H16Si
• Molecular Mass: 164.31954
• Monoisotopic Mass: 164.10212704
• SMILES: CC1=CC[Si]2(C1)CC=C(C2)C
• Canonical SMILES: CC1=CC[Si]2(C1)CC=C(C2)C
• InChI: InChI=1S/C10H16Si/c1-9-3-5-11(7-9)6-4-10(2)8-11/h3-4H,5-8H2,1-2H3
• InChIKey: PCTZDZCYAPUYIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-5-silaspiro[4.4]nona-2,7-diene
• IUPAC Traditional name: 2,7-dimethyl-5-silaspiro[4.4]nona-2,7-diene
• Synonyms: 2,7-Dimethyl-5-silaspiro[4.4]nona-2,7-diene; 2,7-二甲基-5-硅杂螺[4.4]壬-2,7-二烯

Database IDs

• CAS Number: 54767-28-1
• MDL Number: MFCD00192089
• PubChem SID: 162232705
• PubChem CID: 5223211

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.858
• LogD (pH = 7.4): 2.858
• Log P: 2.858
• Molar Refractivity: 47.6564 cm^3
• Polarizability: 20.17006 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140 °C/105 mmHg(lit.)
• Flash Point: 163 °F; 73 °C
• Density: 0.939 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.51(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H16Si

DETAILS

Sigma Aldrich - 391336

Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.