Molecule

ID:103211

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆O₅
Molecular Mass
380.51824
Exact Mass
380.25627425
Charge
0
InChI
InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)
InChIKey
QAOBBBBDJSWHMU-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)O)(C)C
Isomeric Smiles
CCCCC(C)(C)C(O)/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.303361
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.7468438
LogD (pH = 7.4)
1.0076984
Log P
3.9682438
Molar Refractivity
108.3048
Polarizability
41.864788
Polar Surface Area
94.83
Rotatable Bonds
12
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