Molecule

ID:112535

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₃
Molecular Mass
158.19496
Exact Mass
158.09429431
Charge
0
InChI
InChI=1S/C8H14O3/c1-3-10-7-5-6-8(9)11-4-2/h5-6H,3-4,7H2,1-2H3
InChIKey
VAGCTDLISYIDSM-UHFFFAOYSA-N
Canonic Smiles
CCOC/C=C/C(=O)OCC
Isomeric Smiles
CCOC/C=C/C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3747809
LogD (pH = 7.4)
1.3747809
Log P
1.3747809
Molar Refractivity
43.7571
Polarizability
16.69539
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
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