Molecule

ID:108396

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O₂
Molecular Mass
238.36574
Exact Mass
238.19328007
Charge
0
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3
InChIKey
SOUKTGNMIRUIQN-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)OC/C=C(/CCC=C(C)C)\C)C
Isomeric Smiles
CC(C)CC(=O)OC/C=C(\C)/CCC=C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3756323
LogD (pH = 7.4)
4.3756323
Log P
4.3756323
Molar Refractivity
74.1101
Polarizability
28.65341
Polar Surface Area
26.3
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation