3-(2-cyclohexylethoxy)azetidine

• ChemBase ID: 45961
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: N1CC(OCCC2CCCCC2)C1
• Canonical SMILES: C1CCC(CC1)CCOC1CNC1
• InChI: InChI=1S/C11H21NO/c1-2-4-10(5-3-1)6-7-13-11-8-12-9-11/h10-12H,1-9H2
• InChIKey: GWJNIZTXBCLCQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-cyclohexylethoxy)azetidine
• IUPAC Traditional name: 3-(2-cyclohexylethoxy)azetidine
• Synonyms: 3-(2-Cyclohexylethoxy)azetidine

Database IDs

• MDL Number: MFCD13559912
• PubChem SID: 162050724
• PubChem CID: 53409212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.826029
• LogD (pH = 7.4): 0.7462974
• Log P: 2.1292863
• Molar Refractivity: 53.8611 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false