Molecule

ID:72980

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O₂
Molecular Mass
250.37644
Exact Mass
250.19328007
Charge
0
InChI
InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
InChIKey
IMKJGXCIJJXALX-SHUKQUCYSA-N
Canonic Smiles
O=C1C[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CCCC1(C)C
Isomeric Smiles
[C@H]12[C@@](CC[C@@H]3[C@@]1(CCCC3(C)C)C)(OC(=O)C2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.601604
LogD (pH = 7.4)
3.601604
Log P
3.601604
Molar Refractivity
71.1553
Polarizability
28.77548
Polar Surface Area
26.3
Rotatable Bonds
0
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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