Molecule

ID:58438

General Information
Structure
Molecular Formula
C₁₁H₁₈O₃
Molecular Mass
198.25882
Exact Mass
198.12559444
Charge
0
InChI
InChI=1S/C11H18O3/c1-8(11(13)14-2)7-9-5-3-4-6-10(9)12/h8-9H,3-7H2,1-2H3
InChIKey
OTPHUJJJZNBFAV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CC1CCCCC1=O)C
Isomeric Smiles
C1CCCC(C1=O)CC(C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2889564
LogD (pH = 7.4)
2.2889564
Log P
2.2889564
Molar Refractivity
53.0329
Polarizability
21.113459
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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