Molecule

ID:83469

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₃
Molecular Mass
172.22154
Exact Mass
172.10994437
Charge
0
InChI
InChI=1S/C9H16O3/c1-5-11-8(10)7-9(4,12-7)6(2)3/h6-7H,5H2,1-4H3
InChIKey
MOIVYHYTDXXANH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1OC1(C)C(C)C
Isomeric Smiles
O1C(C1(C(C)C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7303131
LogD (pH = 7.4)
1.7303131
Log P
1.7303131
Molar Refractivity
44.4437
Polarizability
18.057873
Polar Surface Area
38.83
Rotatable Bonds
4
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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