Molecule

ID:106811

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h8-9H,3-4,7H2,1-2H3
InChIKey
GGXQZVKQXYOPTF-UHFFFAOYSA-N
Canonic Smiles
CCC#CCC(CC)O
Isomeric Smiles
CCC#CCC(O)CC
Calculated Properties
JChem
Acid pKa
17.532547
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2182634
LogD (pH = 7.4)
2.2182634
Log P
2.2182634
Molar Refractivity
39.6411
Polarizability
14.989166
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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