Molecule

ID:110436

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₆O₄
Molecular Mass
340.49744
Exact Mass
340.26135963
Charge
0
InChI
InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKey
ROPXFXOUUANXRR-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)/C=C/C(=O)OCC(CCCC)CC)CC
Isomeric Smiles
CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.7626963
LogD (pH = 7.4)
6.7626963
Log P
6.7626963
Molar Refractivity
98.4416
Polarizability
38.85157
Polar Surface Area
52.6
Rotatable Bonds
16
Lipinski's Rule of Five
false
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