Molecule

ID:119616

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O₃
Molecular Mass
240.33856
Exact Mass
240.17254463
Charge
0
InChI
InChI=1S/C14H24O3/c1-3-4-5-6-7-12-11(8-9-13(12)15)10-14(16)17-2/h11-12H,3-10H2,1-2H3
InChIKey
GLASPHLTTAHWPI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC1C(CCC1=O)CC(=O)OC
Isomeric Smiles
C1(C(C(=O)CC1)CCCCCC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3666952
LogD (pH = 7.4)
3.3666952
Log P
3.3666952
Molar Refractivity
66.81
Polarizability
26.625702
Polar Surface Area
43.37
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
Navigation
methyl 2-(2-hexyl-3-oxocyclopentyl)acetate|methyl 2-(2-hexyl-3-oxocyclopentyl)acetate|methyl 2-(2-hexyl-3-oxocyclopentyl)acetate | Molfinder