(1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

• ChemBase ID: 205389
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: [C@H]12C(=C)[C@@H](C[C@H](C1(C)C)C2)O
• Canonical SMILES: C=C1[C@H](O)C[C@H]2C[C@@H]1C2(C)C
• InChI: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1
• InChIKey: LCYXQUJDODZYIJ-DJLDLDEBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol
• IUPAC Traditional name: (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

Database IDs

• PubChem SID: 164261299
• PubChem CID: 1201530

CALCULATED PROPERTIES

• Acid pKa: 17.937418
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6287841
• LogD (pH = 7.4): 1.6287841
• Log P: 1.6287841
• Molar Refractivity: 45.1653 cm^3
• Polarizability: 18.07373 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