Molecule

ID:126224

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₄
Molecular Mass
280.35936
Exact Mass
280.16745925
Charge
0
InChI
InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/t11-,12+,13-,14+,15+/m0/s1
InChIKey
KQNZDYYTLMIZCT-XPABHHOTSA-N
Canonic Smiles
O[C@@H]1C[C@@H]2[C@@H](C1)/C=C/CCC[C@@H](OC(=O)/C=C\[C@H]2O)C
Isomeric Smiles
O=C1O[C@H](CCC/C=C/[C@H]2[C@H]([C@H](O)/C=C\1)C[C@@H](O)C2)C
Calculated Properties
JChem
Acid pKa
14.419293
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.007216
LogD (pH = 7.4)
2.007216
Log P
2.007216
Molar Refractivity
78.7488
Polarizability
30.270922
Polar Surface Area
66.76
Rotatable Bonds
0
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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