adamantan-1-ylmethyl N-ethylcarbamate

• ChemBase ID: 260018
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: C12(CC3CC(C1)CC(C2)C3)COC(=O)NCC
• Canonical SMILES: CCNC(=O)OCC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C14H23NO2/c1-2-15-13(16)17-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-9H2,1H3,(H,15,16)
• InChIKey: LWXITTNFSSJVQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-1-ylmethyl N-ethylcarbamate
• IUPAC Traditional name: adamantan-1-ylmethyl N-ethylcarbamate
• Synonyms: adamantan-1-ylmethyl N-ethylcarbamate

Database IDs

• MDL Number: MFCD00154689
• PubChem SID: 164315928
• PubChem CID: 3788973

CALCULATED PROPERTIES

• Acid pKa: 15.2600975
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5953765
• LogD (pH = 7.4): 2.5953765
• Log P: 2.5953765
• Molar Refractivity: 65.9193 cm^3
• Polarizability: 26.231483 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.649

Product Information

• Purity: 95%