naphthalen-2-yl tetradecanoate

• ChemBase ID: 110768
• Molecular Formular: C24H34O2
• Molecular Mass: 354.52556
• Monoisotopic Mass: 354.25588033
• SMILES: CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
• Canonical SMILES: CCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3
• InChIKey: SKRXBZIJSNMVFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-yl tetradecanoate
• IUPAC Traditional name: naphthalen-2-yl tetradecanoate
• Synonyms: β-NAPHTHYL MYRISTATE

Database IDs

• CAS Number: 7262-80-8
• PubChem SID: 162096466
• PubChem CID: 81684

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.160775
• LogD (pH = 7.4): 8.160775
• Log P: 8.160775
• Molar Refractivity: 108.8785 cm^3
• Polarizability: 44.464302 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05216246

MP Biomedicals Rare Chemical collection