Molecule

ID:79865

General Information
Structure
Molecular Formula
C₁₁H₂₂O
Molecular Mass
170.29178
Exact Mass
170.16706532
Charge
0
InChI
InChI=1S/C11H22O/c1-6-10(2)8-7-9-11(3,4)12-5/h6,10H,1,7-9H2,2-5H3
InChIKey
WKBYNERMZLXALA-UHFFFAOYSA-N
Canonic Smiles
C=CC(CCCC(OC)(C)C)C
Isomeric Smiles
O(C(CCCC(C=C)C)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4623373
LogD (pH = 7.4)
3.4623373
Log P
3.4623373
Molar Refractivity
54.3388
Polarizability
21.470417
Polar Surface Area
9.23
Rotatable Bonds
6
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
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References
Bioactivity
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