trimethyl[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-3,5-dien-1-yn-1-yl]silane

• ChemBase ID: 179237
• Molecular Formular: C19H30Si
• Molecular Mass: 286.527
• Monoisotopic Mass: 286.21167749
• SMILES: C1CCC(=C(C1(C)C)/C=C/C(=C/C#C[Si](C)(C)C)/C)C
• Canonical SMILES: C/C(=C\C#C[Si](C)(C)C)/C=C/C1=C(C)CCCC1(C)C
• InChI: InChI=1S/C19H30Si/c1-16(10-9-15-20(5,6)7)12-13-18-17(2)11-8-14-19(18,3)4/h10,12-13H,8,11,14H2,1-7H3/b13-12+,16-10+
• InChIKey: ZJGZJNHUUDMYPM-XTQLBDSXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-3,5-dien-1-yn-1-yl]silane
• IUPAC Traditional name: trimethyl[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-3,5-dien-1-yn-1-yl]silane
• Synonyms: Trimethyl[(3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5-hexadien-1-ynyl]silane; 1,3,3-Trimethyl-2-[(1E,3E)-3-methyl-6-(trimethylsilyl)-1,3-hexadien-5-yn-1-yl]-cyclohexene

Database IDs

• CAS Number: 228120-22-7
• PubChem SID: 164235147
• PubChem CID: 71752832

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9383
• LogD (pH = 7.4): 5.9383
• Log P: 5.9383
• Molar Refractivity: 89.3564 cm^3
• Polarizability: 36.194603 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Hexanes
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - T796450

Intermediate in the preparation of Retinoic Acid derivatives.