Molecule

ID:102546

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O
Molecular Mass
296.531
Exact Mass
296.3079159
Charge
0
InChI
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
InChIKey
KEVYVLWNCKMXJX-UHFFFAOYSA-N
Canonic Smiles
C=CC(CCCC(CCCC(CCCC(C)C)C)C)(O)C
Isomeric Smiles
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
Calculated Properties
JChem
Acid pKa
18.336882
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.1836596
LogD (pH = 7.4)
7.1836596
Log P
7.1836596
Molar Refractivity
95.2618
Polarizability
38.01528
Polar Surface Area
20.23
Rotatable Bonds
13
Lipinski's Rule of Five
false
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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