tert-butyl N-[(1S,2R*)-2-hydroxycyclohexyl]carbamate

• ChemBase ID: 796551
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: N(C(=O)OC(C)(C)C)[C@@H]1[C@H](CCCC1)O
• Canonical SMILES: O=C(OC(C)(C)C)N[C@H]1CCCC[C@@H]1O
• InChI: InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
• InChIKey: XVROWZPERFUOCE-IUCAKERBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1S,2R*)-2-hydroxycyclohexyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1S,2R*)-2-hydroxycyclohexyl]carbamate
• Synonyms: tert-Butyl (trans-2-hydroxycyclohexyl)carbaMate

Database IDs

• CAS Number: 121282-70-0

CALCULATED PROPERTIES

• Acid pKa: 14.242245
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5910054
• LogD (pH = 7.4): 1.5910054
• Log P: 1.5910054
• Molar Refractivity: 57.1675 cm^3
• Polarizability: 22.806097 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%