naphthalen-1-yl hexadecanoate

• ChemBase ID: 102361
• Molecular Formular: C26H38O2
• Molecular Mass: 382.57872
• Monoisotopic Mass: 382.28718046
• SMILES: CCCCCCCCCCCCCCCC(=O)Oc1c2ccccc2ccc1
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)Oc1cccc2c1cccc2
• InChI: InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-26(27)28-25-21-17-19-23-18-15-16-20-24(23)25/h15-21H,2-14,22H2,1H3
• InChIKey: IAKVKXNIMLQHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yl hexadecanoate
• IUPAC Traditional name: naphthalen-1-yl hexadecanoate
• Synonyms: Hexadecanoic acid 1-naphthyl ester; 1-Naphthyl palmitate; α-NAPHTHYL PALMITATE

Database IDs

• CAS Number: 15806-43-6
• PubChem SID: 162090170
• PubChem CID: 151429

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.049912
• LogD (pH = 7.4): 9.049912
• Log P: 9.049912
• Molar Refractivity: 118.0805 cm^3
• Polarizability: 48.162636 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02101333

Crystalline

MP Biomedicals - 05221132

MP Biomedicals Rare Chemical collection