(1R,2S,6S,8S)-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.02,6]undecan-1-ol

• ChemBase ID: 126385
• Molecular Formular: C15H24O
• Molecular Mass: 220.35046
• Monoisotopic Mass: 220.18271539
• SMILES: C[C@@]12CCC([C@@H]1[C@@]1([C@H](C2)CCC1=C)O)(C)C
• Canonical SMILES: C=C1CC[C@@H]2[C@@]1(O)[C@H]1C(C)(C)CC[C@]1(C2)C
• InChI: InChI=1S/C15H24O/c1-10-5-6-11-9-14(4)8-7-13(2,3)12(14)15(10,11)16/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,14-,15+/m0/s1
• InChIKey: JBALFIAUMTYBHR-NZBPQXDJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S,6S,8S)-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0^2,^6]undecan-1-ol
• IUPAC Traditional name: capnellene
• Synonyms: Capnellene; Δ^9(12)-capnellene; Capnellene

Database IDs

• PubChem SID: 162220719
• PubChem CID: 14060593; 10954687
• Chemspider ID: 26233368
• Wikipedia Title: Capnellene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1556988
• LogD (pH = 7.4): 3.1556995
• Log P: 3.1556995
• Molar Refractivity: 65.996 cm^3
• Polarizability: 26.563911 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true