Molecule

ID:130942

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₆O₄
Molecular Mass
398.61964
Exact Mass
398.33960995
Charge
0
InChI
InChI=1S/C24H46O4/c1-5-9-15-21(16-10-6-2)27-23(25)19-13-14-20-24(26)28-22(17-11-7-3)18-12-8-4/h21-22H,5-20H2,1-4H3
InChIKey
VXQKWLPFTKRXCQ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(OC(=O)CCCCC(=O)OC(CCCC)CCCC)CCCC
Isomeric Smiles
CCCCC(CCCC)OC(=O)CCCCC(=O)OC(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.9758472
LogD (pH = 7.4)
7.9758472
Log P
7.9758472
Molar Refractivity
115.516
Polarizability
46.461414
Polar Surface Area
52.6
Rotatable Bonds
21
Lipinski's Rule of Five
false
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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