Molecule

ID:77701

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O₃
Molecular Mass
266.37584
Exact Mass
266.18819469
Charge
0
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3
InChIKey
UYCICMIUKYEYEU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC/C=C/CC1CC(=O)OC1=O
Isomeric Smiles
O1C(=O)C(CC1=O)C/C=C/CCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8070087
LogD (pH = 7.4)
4.8070087
Log P
4.8070087
Molar Refractivity
76.6337
Polarizability
30.063887
Polar Surface Area
43.37
Rotatable Bonds
10
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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