(2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 118975
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C12([C@H](C([C@@H](C1)CC2)(C)C)O)C
• Canonical SMILES: O[C@@H]1C2(C)CC[C@@H](C1(C)C)C2
• InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10?/m0/s1
• InChIKey: IAIHUHQCLTYTSF-JIBHNJPVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: (2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
• Synonyms: (1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

Database IDs

• PubChem SID: 162107222
• PubChem CID: 71300291

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1453652
• LogD (pH = 7.4): 2.1453652
• Log P: 2.1453652
• Molar Refractivity: 45.1603 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: Genuine Natural Compounds