Molecule

ID:132028

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆O₂
Molecular Mass
214.34434
Exact Mass
214.19328007
Charge
0
InChI
InChI=1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3
InChIKey
XPVCTJYIICVJOE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCC(C)C
Isomeric Smiles
CC(C)CCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4666524
LogD (pH = 7.4)
4.4666524
Log P
4.4666524
Molar Refractivity
63.3963
Polarizability
25.439863
Polar Surface Area
26.3
Rotatable Bonds
10
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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