Molecule

ID:119182

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₃
Molecular Mass
186.24812
Exact Mass
186.12559444
Charge
0
InChI
InChI=1S/C10H18O3/c1-10(2)7-8(4-5-13-10)6-9(11)12-3/h8H,4-7H2,1-3H3
InChIKey
MXVBCRXQXNOQBQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCOC(C1)(C)C
Isomeric Smiles
C(=O)(CC1CC(OCC1)(C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2293073
LogD (pH = 7.4)
1.2293073
Log P
1.2293073
Molar Refractivity
49.7956
Polarizability
19.891783
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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