(1R,4R)-2,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 208550
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C1([C@@H]2C(C[C@H]1CC2)(O)C)(C)C
• Canonical SMILES: CC1(O)C[C@@H]2C([C@H]1CC2)(C)C
• InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-8(9)10(3,11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10?/m1/s1
• InChIKey: YXIIIGJOEDNXOJ-SZBHIRRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,4R)-2,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: (1R,4R)-2,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Database IDs

• PubChem SID: 164264460
• PubChem CID: 16402313

CALCULATED PROPERTIES

• Acid pKa: 19.84461
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8920335
• LogD (pH = 7.4): 1.8920337
• Log P: 1.8920337
• Molar Refractivity: 45.5544 cm^3
• Polarizability: 18.31186 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds