3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,10,14,18,22,26,30,34,38,42-decaen-1-ol

• ChemBase ID: 126015
• Molecular Formular: C55H92O
• Molecular Mass: 769.31838
• Monoisotopic Mass: 768.71481756
• SMILES: CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO
• Canonical SMILES: OCCC(CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C
• InChI: InChI=1S/C55H92O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,55-56H,13-22,24,26,28,30,32,34,36,38,40,42-44H2,1-12H3
• InChIKey: BNAIICFZMLQZKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,10,14,18,22,26,30,34,38,42-decaen-1-ol
• IUPAC Traditional name: bactoprenol
• Synonyms: Bactoprenol

Database IDs

• CAS Number: 12777-41-2
• PubChem SID: 162220358
• PubChem CID: 6449977
• Chemspider ID: 4952635
• Wikipedia Title: Bactoprenol

CALCULATED PROPERTIES

• Acid pKa: 17.109793
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 17.689484
• LogD (pH = 7.4): 17.689484
• Log P: 17.689484
• Molar Refractivity: 264.7095 cm^3
• Polarizability: 100.59074 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false