dodecamethylhexasilinane

• ChemBase ID: 151033
• Molecular Formular: C12H36Si6
• Molecular Mass: 348.92724
• Monoisotopic Mass: 348.14326034
• SMILES: C[Si]1([Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)(C)C)(C)C)(C)C)C
• Canonical SMILES: C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si]([Si]([Si]1(C)C)(C)C)(C)C
• InChI: InChI=1S/C12H36Si6/c1-13(2)14(3,4)16(7,8)18(11,12)17(9,10)15(13,5)6/h1-12H3
• InChIKey: RTCLHEHPUHREBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecamethylhexasilinane
• IUPAC Traditional name: dodecamethylhexasilinane
• Synonyms: Dodecamethylcyclohexasilane; 十二甲基环己硅烷

Database IDs

• CAS Number: 4098-30-0
• EC Number: 223-860-0
• MDL Number: MFCD00053564
• PubChem SID: 24867378; 162245192
• PubChem CID: 77732

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.4776
• LogD (pH = 7.4): -0.4776
• Log P: -0.4776
• Molar Refractivity: 71.3484 cm^3
• Polarizability: 39.6964 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 °C(lit.)

Safety Information

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

Product Information

• Linear Formula: (Si(CH3)2)6

DETAILS

Sigma Aldrich - 437492

Packaging
1 g in glass bottle