Molecule

ID:128976

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O
Molecular Mass
296.531
Exact Mass
296.3079159
Charge
0
InChI
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKey
BOTWFXYSPFMFNR-PYDDKJGSSA-N
Canonic Smiles
OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C
Isomeric Smiles
C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
7.04
LogD (pH = 5.5)
7.04
Log P
7.04
Rotatable Bonds
13
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
16.33
Polar Surface Area
20.23
Polarizability
40.24
Molar Refractivity
96.24
LOG S
-8.21
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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