Molecule

ID:85262

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₂
Molecular Mass
146.22732
Exact Mass
146.13067982
Charge
0
InChI
InChI=1S/C8H18O2/c1-2-3-4-5-8(6-9)7-10/h8-10H,2-7H2,1H3
InChIKey
RHYUFGNCUXTFTC-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(CO)CO
Isomeric Smiles
OCC(CO)CCCCC
Calculated Properties
JChem
Acid pKa
15.098371
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1088789
LogD (pH = 7.4)
1.1088789
Log P
1.1088789
Molar Refractivity
42.2394
Polarizability
16.702343
Polar Surface Area
40.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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