(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]dec-4-en-8-ol

• ChemBase ID: 287274
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: OC1[C@H]2C[C@H]([C@@H]3[C@H]2C=CC3)C1
• Canonical SMILES: OC1C[C@@H]2C[C@H]1[C@H]1[C@@H]2CC=C1
• InChI: InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2/t6-,7-,8-,9-,10?/m1/s1
• InChIKey: LDUKQFUHJZHLRC-WWGUJXLXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,6R,7R)-tricyclo[5.2.1.0^2,^6]dec-4-en-8-ol
• IUPAC Traditional name: (1R,2R,6R,7R)-tricyclo[5.2.1.0^2,^6]dec-4-en-8-ol
• Synonyms: (3aR,4R,7R,7aR)-3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-ol

Database IDs

• CAS Number: 37275-49-3
• MDL Number: MFCD00151152
• PubChem SID: 180672805
• PubChem CID: 71463891

CALCULATED PROPERTIES

• Acid pKa: 18.757
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.21735
• LogD (pH = 7.4): 1.2173501
• Log P: 1.2173501
• Molar Refractivity: 44.9051 cm^3
• Polarizability: 17.340162 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%