(1S,2R,10R,11S,14S,15S)-14-ethyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-ol

• ChemBase ID: 126201
• Molecular Formular: C20H32O
• Molecular Mass: 288.46748
• Monoisotopic Mass: 288.24531564
• SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC=C2[C@@H]1CCCC2)C)O
• Canonical SMILES: CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@@H]1CCCC2
• InChI: InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h8,15-18,21H,3-7,9-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
• InChIKey: VGXLQFPZGUQVQW-XGXHKTLJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10R,11S,14S,15S)-14-ethyl-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-7-en-14-ol
• IUPAC Traditional name: bolenol
• Synonyms: Bolenol

Database IDs

• CAS Number: 16915-78-9
• PubChem SID: 162220542
• PubChem CID: 11954311
• Wikipedia Title: Bolenol

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.6879473
• LogD (pH = 7.4): 4.6879478
• Log P: 4.6879478
• Molar Refractivity: 88.4988 cm^3
• Polarizability: 35.055073 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true