Molecule
ID:118952
General Information
Molecular Formula
C₁₆H₃₀O₂
Molecular Mass
254.4082
Exact Mass
254.2245802
Charge
0
InChI
InChI=1S/C16H30O2/c1-14(2)8-5-9-15(3)12(14)6-10-16(4,18)13(15)7-11-17/h12-13,17-18H,5-11H2,1-4H3/t12?,13-,15+,16-/m1/s1
InChIKey
AIALTZSQORJYNJ-BHUMPYGKSA-N
Canonic Smiles
OCC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCCC2(C)C
Isomeric Smiles
[C@@]12(C(C(CCC2)(C)C)CC[C@]([C@@H]1CCO)(O)C)C
Calculated Properties
JChem
Acid pKa
14.741601
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8206959
LogD (pH = 7.4)
2.8206959
Log P
2.8206959
Molar Refractivity
74.9108
Polarizability
29.980997
Polar Surface Area
40.46
Rotatable Bonds
2
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
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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