Molecule

ID:109779

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
186.29118
Exact Mass
186.16197994
Charge
0
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKey
RSDDTPVXLMVLQE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)CC(C)C
Isomeric Smiles
CCCCCCOC(=O)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5677083
LogD (pH = 7.4)
3.5677083
Log P
3.5677083
Molar Refractivity
54.2649
Polarizability
21.753212
Polar Surface Area
26.3
Rotatable Bonds
8
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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