NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
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IUPAC Traditional name
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pseudoionone
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(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
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Synonyms
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(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
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Citrylideneacetone
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Pseudoionone
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Psi-Ionone
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Pseudoionone
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Log P
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3.679499
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Molar Refractivity
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64.9192 cm3
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Polarizability
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24.070398 Å3
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Polar Surface Area
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17.07 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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Acid pKa
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19.728086
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H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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3.679499
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LogD (pH = 7.4)
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3.679499
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REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Org. Synth., Coll. Vol., 3, 1955, 747
- • Zakharova, N.I. et al., Zh. Org. Khim., 1973, 9, 1850, (synth)
- • Englert, G. et al., Helv. Chim. Acta, 1975, 58, 2367, (cmr)
- • Ford, R.A. et al., Food Chem. Toxicol., 1988, 26, 311, (rev, tox)
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PATENTS
PATENTS
PubChem Patent
Google Patent