2-butyladamantan-2-ol

• ChemBase ID: 797023
• Molecular Formular: C14H24O
• Molecular Mass: 208.33976
• Monoisotopic Mass: 208.18271539
• SMILES: C1C2CC3C(C1CC(C2)C3)(O)CCCC
• Canonical SMILES: CCCCC1(O)C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C14H24O/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13,15H,2-9H2,1H3
• InChIKey: PXRAOOXXPGRCJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyladamantan-2-ol
• IUPAC Traditional name: 2-butyladamantan-2-ol
• Synonyms: 2-ButyladaMantan-2-ol

Database IDs

• CAS Number: 14451-86-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.349461
• LogD (pH = 7.4): 3.3494618
• Log P: 3.3494618
• Molar Refractivity: 62.0757 cm^3
• Polarizability: 24.95578 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%