ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

• ChemBase ID: 262277
• Molecular Formular: C14H16O3
• Molecular Mass: 232.27504
• Monoisotopic Mass: 232.10994437
• SMILES: C(=O)(c1cc2c(cc1)CCCC2)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=O)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C14H16O3/c1-2-17-14(16)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3
• InChIKey: FSFBUINHZSBSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
• IUPAC Traditional name: ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
• Synonyms: ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

Database IDs

• MDL Number: MFCD12913115
• PubChem SID: 164318187
• PubChem CID: 13368011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.678777
• LogD (pH = 7.4): 3.678777
• Log P: 3.678777
• Molar Refractivity: 65.2556 cm^3
• Polarizability: 24.987045 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.562

Product Information

• Purity: 95%