Molecule

ID:109858

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₃
Molecular Mass
238.32268
Exact Mass
238.15689456
Charge
0
InChI
InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h9-10,12H,2-8,11H2,1H3
InChIKey
UWERUIGPWOVNGG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/C1CC(=O)OC1=O
Isomeric Smiles
CCCCCCCC/C=C/C1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9178717
LogD (pH = 7.4)
3.9178717
Log P
3.9178717
Molar Refractivity
67.4317
Polarizability
26.382631
Polar Surface Area
43.37
Rotatable Bonds
8
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
Navigation
CAS 33475-53-5|n-1-DECENYLSUCCINIC ANHYDRIDE|3-(dec-1-en-1-yl)oxolane-2,5-dione|3-(dec-1-en-1-yl)oxolane-2,5-dione | Molfinder