Molecule

ID:73682

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3
InChIKey
RJLJOXJZWMGEFD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCC=C
Isomeric Smiles
O(C(=O)CCCC=C)CC
Calculated Properties
JChem
LogD (pH = 7.4)
2.01
LogD (pH = 5.5)
2.01
Log P
2.01
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
16.56
Molar Refractivity
40.64
LOG S
-1.68
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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