2-(adamantan-2-ylidene)adamantane

• ChemBase ID: 288625
• Molecular Formular: C20H28
• Molecular Mass: 268.43632
• Monoisotopic Mass: 268.2191009
• SMILES: C12/C(=C/3\C4CC5CC(C4)CC3C5)/C3CC(C1)CC(C3)C2
• Canonical SMILES: C1C2CC3/C(=C\4/C5CC6CC4CC(C5)C6)/C1CC(C2)C3
• InChI: InChI=1S/C20H28/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/h11-18H,1-10H2/b20-19-
• InChIKey: KRDXURLKZNAXAQ-VXPUYCOJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(adamantan-2-ylidene)adamantane
• IUPAC Traditional name: 2-(adamantan-2-ylidene)adamantane
• Synonyms: Biadamantylidene

Database IDs

• CAS Number: 30541-56-1
• PubChem SID: 180674156
• PubChem CID: 141567

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.548011
• LogD (pH = 7.4): 4.548011
• Log P: 4.548011
• Molar Refractivity: 83.0684 cm^3
• Polarizability: 32.994694 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%