Molecule

ID:111850

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O
Molecular Mass
128.21204
Exact Mass
128.12011513
Charge
0
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey
VSMOENVRRABVKN-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C=C)O
Isomeric Smiles
CCCCCC(O)C=C
Calculated Properties
JChem
LogD (pH = 7.4)
2.49
LogD (pH = 5.5)
2.49
Log P
2.49
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.71
Polar Surface Area
20.23
Polarizability
16.25
Molar Refractivity
40.17
LOG S
-2.15
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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