9,9-dimethyl-9,10-dihydroanthracene

• ChemBase ID: 798625
• Molecular Formular: C16H16
• Molecular Mass: 208.29824
• Monoisotopic Mass: 208.12520051
• SMILES: c1ccc2Cc3ccccc3C(c2c1)(C)C
• Canonical SMILES: CC1(C)c2ccccc2Cc2c1cccc2
• InChI: InChI=1S/C16H16/c1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-10H,11H2,1-2H3
• InChIKey: JZWGDEVGYRDRPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-dimethyl-9,10-dihydroanthracene
• IUPAC Traditional name: 9,9-dimethyl-10H-anthracene
• Synonyms: 9,9-dimethyl-9,10-dihydroanthracene; 9,10-dihydro-9,9-dimethylanthracene

Database IDs

• CAS Number: 42332-94-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.770654
• LogD (pH = 7.4): 4.770654
• Log P: 4.770654
• Molar Refractivity: 78.9925 cm^3
• Polarizability: 26.509512 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%