3,5-dimethoxy-3,5-dimethyl-2,4,6-trioxa-3,5-disilaheptane

• ChemBase ID: 137304
• Molecular Formular: C6H18O5Si2
• Molecular Mass: 226.37512
• Monoisotopic Mass: 226.06927674
• SMILES: CO[Si](C)(OC)O[Si](C)(OC)OC
• Canonical SMILES: CO[Si](O[Si](OC)(OC)C)(OC)C
• InChI: InChI=1S/C6H18O5Si2/c1-7-12(5,8-2)11-13(6,9-3)10-4/h1-6H3
• InChIKey: JWVHPGDCFVOYMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxy-3,5-dimethyl-2,4,6-trioxa-3,5-disilaheptane
• IUPAC Traditional name: 3,5-dimethoxy-3,5-dimethyl-2,4,6-trioxa-3,5-disilaheptane
• Synonyms: 1,3-Dimethyltetramethoxydisiloxane; 1,1,3,3-四甲氧基-1,3-二甲基二硅氧烷

Database IDs

• CAS Number: 18186-97-5
• EC Number: 242-072-8
• MDL Number: MFCD00040017
• PubChem SID: 162231568
• PubChem CID: 87496

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1514
• LogD (pH = 7.4): 1.1514
• Log P: 1.1514
• Molar Refractivity: 40.1884 cm^3
• Polarizability: 21.273546 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165 °C(lit.)
• Flash Point: 30 °C; 86 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.384(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: ((CH3O)2SiCH3)2O