naphthalen-2-yl nonanoate

• ChemBase ID: 102144
• Molecular Formular: C19H24O2
• Molecular Mass: 284.39266
• Monoisotopic Mass: 284.17763001
• SMILES: CCCCCCCCC(=O)Oc1ccc2ccccc2c1
• Canonical SMILES: CCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H24O2/c1-2-3-4-5-6-7-12-19(20)21-18-14-13-16-10-8-9-11-17(16)15-18/h8-11,13-15H,2-7,12H2,1H3
• InChIKey: MKROVNPMTNPUNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-yl nonanoate
• IUPAC Traditional name: naphthalen-2-yl nonanoate
• Synonyms: Nonanoic acid 2-naphthyl ester; β-NAPHTHYL NONANOATE

Database IDs

• CAS Number: 15806-45-8
• PubChem SID: 162088704
• PubChem CID: 20556960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9379315
• LogD (pH = 7.4): 5.9379315
• Log P: 5.9379315
• Molar Refractivity: 85.8735 cm^3
• Polarizability: 35.229248 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 46-49°C

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02100333

Crystalline