1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 103255
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CC1(C)C2CCC(C)(C2)C1O
• Canonical SMILES: OC1C2(C)CCC(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
• InChIKey: IAIHUHQCLTYTSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: fenchyl alcohol
• Synonyms: (+)-Fenchol; 1,3,3-Trimethyl-2-norboranol; FENCHYL ALCOHOL; Fenchol

Database IDs

• CAS Number: 1632-73-1
• EC Number: 216-639-5
• PubChem SID: 162090447
• PubChem CID: 6997371; 15406
• Wikipedia Title: Fenchol

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

Physical Property

• Melting Point: 39-45 °C
• Boiling Point: 201 °C