({[(3R,4R)-4-(benzyloxy)hexa-1,5-dien-3-yl]oxy}methyl)benzene

• ChemBase ID: 166893
• Molecular Formular: C20H22O2
• Molecular Mass: 294.38748
• Monoisotopic Mass: 294.16197994
• SMILES: C=C[C@H]([C@@H](C=C)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: C=C[C@H]([C@H](OCc1ccccc1)C=C)OCc1ccccc1
• InChI: InChI=1S/C20H22O2/c1-3-19(21-15-17-11-7-5-8-12-17)20(4-2)22-16-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2/t19-,20-/m1/s1
• InChIKey: SIDNFRGHUJGCFX-WOJBJXKFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[(3R,4R)-4-(benzyloxy)hexa-1,5-dien-3-yl]oxy}methyl)benzene
• IUPAC Traditional name: ({[(3R,4R)-4-(benzyloxy)hexa-1,5-dien-3-yl]oxy}methyl)benzene
• Synonyms: 1,1'-[[(1R,2R)-1,2-Diethenyl-1,2-ethanediyl]bis(oxymethylene)]bis-benzene; (3R,4R)-3,4-Di-O-benzyl-1,5-hexadiene-3,4-diol

Database IDs

• CAS Number: 112571-38-7
• PubChem SID: 162261026
• PubChem CID: 10756228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.108554
• LogD (pH = 7.4): 5.108554
• Log P: 5.108554
• Molar Refractivity: 90.947 cm^3
• Polarizability: 35.61005 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - D417430

Intermediate in the preparation of D-Glucitol derivatives.