(8S)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol

• ChemBase ID: 128665
• Molecular Formular: C14H22O
• Molecular Mass: 206.32388
• Monoisotopic Mass: 206.16706532
• SMILES: C[C@]12CCC3CC1C=CCC2(O)C3(C)C
• Canonical SMILES: CC1(C)C2CC[C@@]3(C1(O)CC=CC3C2)C
• InChI: InChI=1S/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10?,11?,13-,14?/m0/s1
• InChIKey: OSQSDJNIURJARY-QHNNHONCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8S)-2,2,8-trimethyltricyclo[5.3.1.0^3,^8]undec-5-en-3-ol
• IUPAC Traditional name: norpatchoulenol
• Synonyms: Norpatchoulenol

Database IDs

• CAS Number: 41429-52-1
• PubChem SID: 162222972
• PubChem CID: 57124935
• Chemspider ID: 21106458
• Wikipedia Title: Norpatchoulenol

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.854403
• LogD (pH = 7.4): 2.8544047
• Log P: 2.8544047
• Molar Refractivity: 62.7865 cm^3
• Polarizability: 24.718517 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true