NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-benzyl-2,2-dimethyloxane-4-carboxylic acid
|
|
|
IUPAC Traditional name
|
4-benzyl-2,2-dimethyloxane-4-carboxylic acid
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
4.62267
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.0987442
|
LogD (pH = 7.4)
|
0.32190418
|
Log P
|
3.0291986
|
Molar Refractivity
|
69.6484 cm3
|
Polarizability
|
27.37385 Å3
|
Polar Surface Area
|
46.53 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
|
Rare Derivatives of Natural Compounds
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent