1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene

• ChemBase ID: 86912
• Molecular Formular: C22H34
• Molecular Mass: 298.50536
• Monoisotopic Mass: 298.26605109
• SMILES: CC1(c2c(cc3c(c2)C(CCC3(C)C)(C)C)C(C)(C)CC1)C
• Canonical SMILES: CC1(C)CCC(c2c1cc1c(c2)C(C)(C)CCC1(C)C)(C)C
• InChI: InChI=1S/C22H34/c1-19(2)9-10-20(3,4)16-14-18-17(13-15(16)19)21(5,6)11-12-22(18,7)8/h13-14H,9-12H2,1-8H3
• InChIKey: NABKENULMAEYJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene
• IUPAC Traditional name: 1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracene
• Synonyms: 1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene

Database IDs

• CAS Number: 22306-30-5
• MDL Number: MFCD00052719
• PubChem SID: 162074028
• PubChem CID: 227657

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.226019
• LogD (pH = 7.4): 7.226019
• Log P: 7.226019
• Molar Refractivity: 97.1172 cm^3
• Polarizability: 38.11529 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%