(E)-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-ylidene)hydroxylamine

• ChemBase ID: 182429
• Molecular Formular: C14H23NO
• Molecular Mass: 221.33852
• Monoisotopic Mass: 221.17796436
• SMILES: C(=CC(/C=N/O)(C)C)=C(CCC=C(C)C)C
• Canonical SMILES: O/N=C/C(C=C=C(CCC=C(C)C)C)(C)C
• InChI: InChI=1S/C14H23NO/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15-16/h7,10-11,16H,6,8H2,1-5H3/b15-11+
• InChIKey: JTOJDVLRZXEYJH-RVDMUPIBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-ylidene)hydroxylamine
• IUPAC Traditional name: (E)-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-ylidene)hydroxylamine

Database IDs

• PubChem SID: 164238339
• PubChem CID: 6873963

CALCULATED PROPERTIES

• LogD (pH = 7.4): 4.09336
• Log P: 4.0942674
• Molar Refractivity: 71.9273 cm^3
• Polarizability: 26.929125 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.0868635
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.093395

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds