Molecule

ID:68635

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
InChIKey
MOILFCKRQFQVFS-OORONAJNSA-N
Canonic Smiles
O[C@@H]1C[C@@H]2C[C@@H]([C@]1(C)O)C2(C)C
Isomeric Smiles
[C@H]12[C@@]([C@@H](C[C@@H](C1(C)C)C2)O)(O)C
Calculated Properties
JChem
Acid pKa
13.601064
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8171301
LogD (pH = 7.4)
0.81712985
Log P
0.8171301
Molar Refractivity
46.9159
Polarizability
18.930742
Polar Surface Area
40.46
Rotatable Bonds
0
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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