naphthalen-2-yl dodecanoate

• ChemBase ID: 109519
• Molecular Formular: C22H30O2
• Molecular Mass: 326.4724
• Monoisotopic Mass: 326.2245802
• SMILES: CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
• Canonical SMILES: CCCCCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3
• InChIKey: CIGGUBXZFFSTTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-yl dodecanoate
• IUPAC Traditional name: naphthalen-2-yl dodecanoate
• Synonyms: β-NAPHTHYL LAURATE

Database IDs

• CAS Number: 6343-73-3
• PubChem SID: 162095171
• PubChem CID: 80656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.2716374
• LogD (pH = 7.4): 7.2716374
• Log P: 7.2716374
• Molar Refractivity: 99.6765 cm^3
• Polarizability: 40.770275 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05211411

MP Biomedicals Rare Chemical collection