cyclohexyl cyclohexanecarboxylate

• ChemBase ID: 288965
• Molecular Formular: C13H22O2
• Molecular Mass: 210.31258
• Monoisotopic Mass: 210.16197994
• SMILES: O=C(C1CCCCC1)OC1CCCCC1
• Canonical SMILES: O=C(C1CCCCC1)OC1CCCCC1
• InChI: InChI=1S/C13H22O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2
• InChIKey: VJCWGXGMXAVKJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl cyclohexanecarboxylate
• IUPAC Traditional name: cyclohexyl cyclohexanecarboxylate
• Synonyms: Cyclohexyl cyclohexanecarboxylate

Database IDs

• CAS Number: 15840-96-7
• PubChem SID: 180674496
• PubChem CID: 85137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8353212
• LogD (pH = 7.4): 3.8353212
• Log P: 3.8353212
• Molar Refractivity: 59.6292 cm^3
• Polarizability: 23.978514 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%