Molecule

ID:108831

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₂
Molecular Mass
202.33364
Exact Mass
202.19328007
Charge
0
InChI
InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChIKey
NCRNCSZWOOYBQF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(OC)OC
Isomeric Smiles
CCCCCCCCCC(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1660614
LogD (pH = 7.4)
4.1660614
Log P
4.1660614
Molar Refractivity
60.3836
Polarizability
24.218174
Polar Surface Area
18.46
Rotatable Bonds
10
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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