tert-butyl N-(dec-9-en-1-yl)carbamate

• ChemBase ID: 800906
• Molecular Formular: C15H29NO2
• Molecular Mass: 255.39626
• Monoisotopic Mass: 255.21982917
• SMILES: N(C(=O)OC(C)(C)C)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C15H29NO2/c1-5-6-7-8-9-10-11-12-13-16-14(17)18-15(2,3)4/h5H,1,6-13H2,2-4H3,(H,16,17)
• InChIKey: NBZBQHNWIXSPLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(dec-9-en-1-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(dec-9-en-1-yl)carbamate
• Synonyms: Dec-9-enyl-carbamic acid tert-butyl ester

Database IDs

• CAS Number: 313469-03-3

CALCULATED PROPERTIES

• Acid pKa: 16.19337
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.5539618
• LogD (pH = 7.4): 4.5539618
• Log P: 4.5539618
• Molar Refractivity: 76.3155 cm^3
• Polarizability: 30.017767 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%