Molecule

ID:136364

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₃
Molecular Mass
170.20566
Exact Mass
170.09429431
Charge
0
InChI
InChI=1S/C9H14O3/c1-9(2,3)12-8(10)4-7-5-11-6-7/h4H,5-6H2,1-3H3
InChIKey
ARJYDTSMXYEQSN-UHFFFAOYSA-N
Canonic Smiles
O=C(C=C1COC1)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)C=C1COC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1962918
LogD (pH = 7.4)
1.1962918
Log P
1.1962918
Molar Refractivity
45.8609
Polarizability
17.8112
Polar Surface Area
35.53
Rotatable Bonds
3
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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