(4E)-2,2,5,9-tetramethyldeca-4,8-dienal

• ChemBase ID: 187091
• Molecular Formular: C14H24O
• Molecular Mass: 208.33976
• Monoisotopic Mass: 208.18271539
• SMILES: C(=C(\CCC=C(C)C)/C)/CC(C=O)(C)C
• Canonical SMILES: O=CC(C/C=C(/CCC=C(C)C)\C)(C)C
• InChI: InChI=1S/C14H24O/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9,11H,6,8,10H2,1-5H3/b13-9+
• InChIKey: WNMULXZVYDQAHP-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-2,2,5,9-tetramethyldeca-4,8-dienal
• IUPAC Traditional name: (4E)-2,2,5,9-tetramethyldeca-4,8-dienal

Database IDs

• PubChem SID: 164243001
• PubChem CID: 1757269

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.292434
• LogD (pH = 7.4): 4.292434
• Log P: 4.292434
• Molar Refractivity: 68.4249 cm^3
• Polarizability: 26.149706 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Cis/Trans Isomers
• Classification: Rare Derivatives of Natural Compounds