2-(adamantan-2-yl)adamantane

• ChemBase ID: 60137
• Molecular Formular: C20H30
• Molecular Mass: 270.4522
• Monoisotopic Mass: 270.23475096
• SMILES: C1C2CC3CC1CC(C2)C3C1C2CC3CC(C2)CC1C3
• Canonical SMILES: C1C2CC3C(C1CC(C2)C3)C1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
• InChIKey: FFLXOPFAPWKULC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(adamantan-2-yl)adamantane
• IUPAC Traditional name: 2-(adamantan-2-yl)adamantane
• Synonyms: 2,2'-Bi(tricyclo[3.3.1.1~3,7~]decane)

Database IDs

• MDL Number: MFCD00181028
• PubChem SID: 162025878
• PubChem CID: 141487

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.997248
• LogD (pH = 7.4): 4.997248
• Log P: 4.997248
• Molar Refractivity: 82.485 cm^3
• Polarizability: 33.229065 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false