Molecule

ID:43811

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h8-9H,1-6H2
InChIKey
VEDQBZWFMDUFHU-UHFFFAOYSA-N
Canonic Smiles
OCC1CCC(=C)CC1
Isomeric Smiles
C1(=C)CCC(CC1)CO
Calculated Properties
JChem
Acid pKa
17.711708
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5350795
LogD (pH = 7.4)
1.5350795
Log P
1.5350795
Molar Refractivity
38.3324
Polarizability
15.119015
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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