Molecule

ID:109355

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₃
Molecular Mass
158.19496
Exact Mass
158.09429431
Charge
0
InChI
InChI=1S/C8H14O3/c1-4-10-5-6-11-8(9)7(2)3/h2,4-6H2,1,3H3
InChIKey
SFPNZPQIIAJXGL-UHFFFAOYSA-N
Canonic Smiles
CCOCCOC(=O)C(=C)C
Isomeric Smiles
CCOCCOC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6175576
LogD (pH = 7.4)
1.6175576
Log P
1.6175576
Molar Refractivity
42.2097
Polarizability
16.69539
Polar Surface Area
35.53
Rotatable Bonds
6
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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