(E)-N-[(4E)-2,2,5,9-tetramethyldeca-4,8-dien-1-ylidene]hydroxylamine

• ChemBase ID: 182130
• Molecular Formular: C14H25NO
• Molecular Mass: 223.3544
• Monoisotopic Mass: 223.19361443
• SMILES: C(=C(\CCC=C(C)C)/C)/CC(/C=N/O)(C)C
• Canonical SMILES: O/N=C/C(C/C=C(/CCC=C(C)C)\C)(C)C
• InChI: InChI=1S/C14H25NO/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15-16/h7,9,11,16H,6,8,10H2,1-5H3/b13-9+,15-11+
• InChIKey: QTVXPFTYJNJXNP-MLRAWEAHSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238040
• PubChem CID: 6891489

CALCULATED PROPERTIES

• Acid pKa: 10.750497
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3003864
• LogD (pH = 7.4): 4.3016987
• Log P: 4.301914
• Molar Refractivity: 72.2466 cm^3
• Polarizability: 27.481915 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds