NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(4R)-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
|
|
|
IUPAC Traditional name
|
(4R)-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
|
|
|
Synonyms
|
9,13-Dihydroxymegastigma-4,7-dien-3-one
|
Apocynol A
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
15.094155
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
0.9857127
|
LogD (pH = 7.4)
|
0.9857127
|
Log P
|
0.9857127
|
Molar Refractivity
|
65.4818 cm3
|
Polarizability
|
24.773447 Å3
|
Polar Surface Area
|
57.53 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Physical Property
Bioassay(PubChem)
Apperance
|
Oil
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent