Molecule
ID:108605
General Information
Molecular Formula
C₈H₁₆O
Molecular Mass
128.21204
Exact Mass
128.12011513
Charge
0
InChI
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKey
WGDUEFYADBRNKG-UHFFFAOYSA-N
Canonic Smiles
CCCCC(/C=C/C)O
Isomeric Smiles
CCCCC(O)/C=C/C
Calculated Properties
JChem
Acid pKa
17.740377
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4275424
LogD (pH = 7.4)
2.4275424
Log P
2.4275424
Molar Refractivity
41.2423
Polarizability
15.855958
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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