Molecule
ID:112201
General Information
Molecular Formula
C₁₁H₂₄O₂
Molecular Mass
188.30706
Exact Mass
188.17763001
Charge
0
InChI
InChI=1S/C11H24O2/c1-5-7-9-12-11(3,4)13-10-8-6-2/h5-10H2,1-4H3
InChIKey
CXBFTMAIVDLZLG-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(OCCCC)(C)C
Isomeric Smiles
CCCCOC(C)(C)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3130684
LogD (pH = 7.4)
3.3130684
Log P
3.3130684
Molar Refractivity
56.4768
Polarizability
22.374434
Polar Surface Area
18.46
Rotatable Bonds
8
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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