1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 107038
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CC1(C)C2CCC1(C)C(O)C2
• Canonical SMILES: OC1CC2C(C1(C)CC2)(C)C
• InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
• InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: d-borneol
• Synonyms: BORNEOL(ISO)

Database IDs

• CAS Number: 10385-78-1
• PubChem SID: 162089101
• PubChem CID: 64685

CALCULATED PROPERTIES

• Acid pKa: 19.604824
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9894578
• LogD (pH = 7.4): 1.9894578
• Log P: 1.9894578
• Molar Refractivity: 45.3143 cm^3
• Polarizability: 18.31186 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202309

MP Biomedicals Rare Chemical collection