Molecule

ID:90522

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3
InChIKey
BDBGKYIBDXAVMX-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OCC)CC=C
Isomeric Smiles
O(C(=O)C(CC=C)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1080277
LogD (pH = 7.4)
2.1080277
Log P
2.1080277
Molar Refractivity
40.6089
Polarizability
15.986376
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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