2,2-dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane

• ChemBase ID: 156118
• Molecular Formular: C10H22O5Si
• Molecular Mass: 250.36418
• Monoisotopic Mass: 250.12365034
• SMILES: C[Si]1(OCCOCCOCCOCCO1)C
• Canonical SMILES: C[Si]1(C)OCCOCCOCCOCCO1
• InChI: InChI=1S/C10H22O5Si/c1-16(2)14-9-7-12-5-3-11-4-6-13-8-10-15-16/h3-10H2,1-2H3
• InChIKey: JIOBGPYSBDFDAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane
• IUPAC Traditional name: 2,2-dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane
• Synonyms: 2,2-Dimethyl-2-sila-14-crown-5; 2,2-Dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane; 2,2-二甲基-2-硅杂-14-冠-5; 2,2-二甲基-1,3,6,9,12-五氧杂-2-硅杂环十四烷

Database IDs

• CAS Number: 70851-49-9
• EC Number: 274-934-4
• MDL Number: MFCD00015533
• Beilstein Number: 6387584
• PubChem SID: 24865750; 162250256
• PubChem CID: 116905

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.3684
• LogD (pH = 7.4): -0.3684
• Log P: -0.3684
• Molar Refractivity: 57.1467 cm^3
• Polarizability: 24.90823 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 150 °C; 302 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C10H22O5Si