NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(2-methylbut-3-yn-2-yl)oxy]benzonitrile
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IUPAC Traditional name
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4-[(2-methylbut-3-yn-2-yl)oxy]benzonitrile
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Synonyms
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4-[(1,1-Dimethylprop-2-yn-1-yl)oxy]benzonitrile
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4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile
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CAS Number
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MDL 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
H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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2.5969055
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LogD (pH = 7.4)
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2.5969055
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Log P
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2.5969055
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Molar Refractivity
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54.88 cm3
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Polarizability
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20.94656 Å3
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Polar Surface Area
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33.02 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Bioassay(PubChem)
Melting Point
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30-32°C
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Show
data source
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Storage Warning
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Toxic/Harmful
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent