naphthalen-1-yl octadecanoate

• ChemBase ID: 102355
• Molecular Formular: C28H42O2
• Molecular Mass: 410.63188
• Monoisotopic Mass: 410.31848058
• SMILES: CCCCCCCCCCCCCCCCCC(=O)Oc1c2ccccc2ccc1
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1cccc2
• InChI: InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(29)30-27-23-19-21-25-20-17-18-22-26(25)27/h17-23H,2-16,24H2,1H3
• InChIKey: CJVDJPQHLSHHMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yl octadecanoate
• IUPAC Traditional name: naphthalen-1-yl octadecanoate
• Synonyms: Octadecanoic acid 1-naphthyl ester; 1-Naphthyl stearate; α-NAPHTHYL STEARATE

Database IDs

• CAS Number: 15806-44-7
• PubChem SID: 162088153
• PubChem CID: 4613271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.93905
• LogD (pH = 7.4): 9.93905
• Log P: 9.93905
• Molar Refractivity: 127.2825 cm^3
• Polarizability: 51.85668 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02101317

Crystalline
α-Naphthol-free