cyclohexylmethyl cyclohexanecarboxylate

• ChemBase ID: 288966
• Molecular Formular: C14H24O2
• Molecular Mass: 224.33916
• Monoisotopic Mass: 224.17763001
• SMILES: O=C(C1CCCCC1)OCC1CCCCC1
• Canonical SMILES: O=C(C1CCCCC1)OCC1CCCCC1
• InChI: InChI=1S/C14H24O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h12-13H,1-11H2
• InChIKey: XWINVLMFYISLRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexylmethyl cyclohexanecarboxylate
• IUPAC Traditional name: cyclohexylmethyl cyclohexanecarboxylate
• Synonyms: Cyclohexylmethyl cyclohexanecarboxylate

Database IDs

• CAS Number: 2611-02-1
• PubChem SID: 180674497
• PubChem CID: 75786

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.150334
• LogD (pH = 7.4): 4.150334
• Log P: 4.150334
• Molar Refractivity: 64.36 cm^3
• Polarizability: 25.820557 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%