1,4-diethenylbenzene ethenylbenzene [4-(benzyloxy)phenyl]methyl N-[(tert-butoxy)carbonyl]carbamate

• ChemBase ID: 136729
• Molecular Formular: C38H41NO5
• Molecular Mass: 591.73584
• Monoisotopic Mass: 591.29847342
• SMILES: CC(C)(C)OC(=O)NC(=O)OCc1ccc(cc1)OCc1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• Canonical SMILES: O=C(NC(=O)OC(C)(C)C)OCc1ccc(cc1)OCc1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• InChI: InChI=1S/C20H23NO5.C10H10.C8H8/c1-20(2,3)26-19(23)21-18(22)25-14-16-9-11-17(12-10-16)24-13-15-7-5-4-6-8-15;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8/h4-12H,13-14H2,1-3H3,(H,21,22,23);3-8H,1-2H2;2-7H,1H2
• InChIKey: VEDXYZYGHBJJQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene ethenylbenzene [4-(benzyloxy)phenyl]methyl N-[(tert-butoxy)carbonyl]carbamate
• IUPAC Traditional name: divinylbenzene styrene [4-(benzyloxy)phenyl]methyl N-(tert-butoxycarbonyl)carbamate
• Synonyms: StratoSpheres™ PL-IDC iminodicarbonate Wang resin; StratoSpheres™ PL-IDC 亚氨基二碳酸酯王氏树脂

Database IDs

• MDL Number: MFCD03458602
• PubChem SID: 162230999; 24879430
• PubChem CID: 16217140

CALCULATED PROPERTIES

• Acid pKa: 5.3752966
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.180845
• LogD (pH = 7.4): 2.8571806
• Log P: 4.5421367
• Molar Refractivity: 96.773 cm^3
• Polarizability: 37.995792 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Particle Size: 50-100 mesh
• Extent of Labeling: 1.3 mmol/g typical loading loading
• Crosslinking: 1 % cross-linked

DETAILS

Sigma Aldrich - 554782

Legal Information
StratoSpheres is a trademark of Agilent Technologies, Inc.