Molecule

ID:84558

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₄
Molecular Mass
258.35384
Exact Mass
258.18310931
Charge
0
InChI
InChI=1S/C14H26O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h12H,4-11H2,1-3H3
InChIKey
HIJIXCXMVYTMCY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(C(=O)OCC)C(=O)OCC
Isomeric Smiles
O=C(C(C(=O)OCC)CCCCCCC)OCC
Calculated Properties
JChem
Acid pKa
8.29246
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8839908
LogD (pH = 7.4)
3.832781
Log P
3.884685
Molar Refractivity
70.2037
Polarizability
28.057285
Polar Surface Area
52.6
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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