(2E,4E,8Z,11Z)-10,13-dihydroxy-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

• ChemBase ID: 305328
• Molecular Formular: C18H29NO3
• Molecular Mass: 307.42776
• Monoisotopic Mass: 307.21474379
• SMILES: N(C(=O)/C=C/C=C/CC/C=C\C(/C=C\C(C)O)O)CC(C)C
• Canonical SMILES: OC(/C=C\C(O)C)/C=C\CC/C=C/C=C/C(=O)NCC(C)C
• InChI: InChI=1S/C18H29NO3/c1-15(2)14-19-18(22)11-9-7-5-4-6-8-10-17(21)13-12-16(3)20/h5,7-13,15-17,20-21H,4,6,14H2,1-3H3,(H,19,22)/b7-5+,10-8-,11-9+,13-12-
• InChIKey: UZFFYMBPOOHKLO-GFEPDWRASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,4E,8Z,11Z)-10,13-dihydroxy-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
• IUPAC Traditional name: (2E,4E,8Z,11Z)-10,13-dihydroxy-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
• Synonyms: BBP01787

CALCULATED PROPERTIES

• Acid pKa: 14.458697
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.5568712
• LogD (pH = 7.4): 2.5568721
• Log P: 2.5568721
• Molar Refractivity: 95.7418 cm^3
• Polarizability: 35.36504 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil

Product Information

• Purity: 0.0