Molecule
ID:110705
General Information
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3
InChIKey
LPWKTEHEFDVAQS-UHFFFAOYSA-N
Canonic Smiles
CCC/C=C/COC(=O)CC
Isomeric Smiles
CCC/C=C/COC(=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6301064
LogD (pH = 7.4)
2.6301064
Log P
2.6301064
Molar Refractivity
46.0779
Polarizability
17.827818
Polar Surface Area
26.3
Rotatable Bonds
6
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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