NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-bis(2H3)methyl(5,5,5-2H3)pent-1-en-3-one
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IUPAC Traditional name
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(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-bis(2H3)methyl(5,5,5-2H3)pent-1-en-3-one
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Synonyms
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4,4-Dimethyl-d6-1-(3,4-methylenedioxyphenyl)-1-penten-3-one-d3
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4,4-Dimethyl-d6-1-[3,4-(methylenedioxy)phenyl]-1-penten-3-one-d3
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1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-d3
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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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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3.8884816
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LogD (pH = 7.4)
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3.8884816
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Log P
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3.8884816
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Molar Refractivity
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66.0803 cm3
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Polarizability
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25.582245 Å3
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Polar Surface Area
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35.53 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent