deca-2,4,6,8-tetraenal

• ChemBase ID: 80028
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: O=C/C=C/C=C/C=C/C=C/C
• Canonical SMILES: C/C=C/C=C/C=C/C=C/C=O
• InChI: InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h2-10H,1H3
• InChIKey: ADCGETJXLJQTBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: deca-2,4,6,8-tetraenal; (2E,4E,6E,8E)-deca-2,4,6,8-tetraenal
• IUPAC Traditional name: deca-2,4,6,8-tetraenal; (2E,4E,6E,8E)-deca-2,4,6,8-tetraenal
• Synonyms: Deca-2,4,6,8-tetraen-1-al; 2,4,6,8-Decatetraenal; Decatetraenal; Deca-2,4,6,8-tetraenal

Database IDs

• CAS Number: 40650-87-1
• MDL Number: MFCD00269959
• PubChem SID: 162067148
• PubChem CID: 5283353

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.342613
• LogD (pH = 7.4): 2.342613
• Log P: 2.342613
• Molar Refractivity: 52.9953 cm^3
• Polarizability: 18.297846 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Benzene; Chloroform
• Apperance: Pale Yellow Solid
• Melting Point: 102-103°C

Safety Information

• Storage Condition: Amber Vial, -86?C Freezer

REFERENCES

• Science, 255, 521 (1984)