(1s,5s)-9-ethylbicyclo[3.3.1]nonan-9-ol

• ChemBase ID: 150316
• Molecular Formular: C11H20O
• Molecular Mass: 168.2759
• Monoisotopic Mass: 168.15141526
• SMILES: CCC1([C@H]2CCC[C@@H]1CCC2)O
• Canonical SMILES: CCC1(O)[C@@H]2CCC[C@H]1CCC2
• InChI: InChI=1S/C11H20O/c1-2-11(12)9-5-3-6-10(11)8-4-7-9/h9-10,12H,2-8H2,1H3/t9-,10+,11?
• InChIKey: COQRKPRIDRDOOG-ZACCUICWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,5s)-9-ethylbicyclo[3.3.1]nonan-9-ol
• IUPAC Traditional name: (1s,5s)-9-ethylbicyclo[3.3.1]nonan-9-ol
• Synonyms: 9-Ethylbicyclo[3.3.1]nonan-9-ol; 9-乙基双环[3.3.1]壬-9-醇

Database IDs

• CAS Number: 21915-33-3
• MDL Number: MFCD00074758
• PubChem SID: 162244477
• PubChem CID: 89551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7945802
• LogD (pH = 7.4): 2.794581
• Log P: 2.794581
• Molar Refractivity: 50.1797 cm^3
• Polarizability: 20.156242 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H20O