Molecule

ID:112601

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₆
Molecular Mass
344.44308
Exact Mass
344.21988874
Charge
0
InChI
InChI=1S/C18H32O6/c1-4-7-10-16(19)22-13-15(24-18(21)12-9-6-3)14-23-17(20)11-8-5-2/h15H,4-14H2,1-3H3
InChIKey
PZJLFHDNXGAZHU-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)OC(COC(=O)CCCC)COC(=O)CCCC
Isomeric Smiles
CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2533817
LogD (pH = 7.4)
4.2533817
Log P
4.2533817
Molar Refractivity
89.4573
Polarizability
36.221012
Polar Surface Area
78.9
Rotatable Bonds
17
Lipinski's Rule of Five
true
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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