Molecule

ID:73684

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3H,1,4-9H2,2H3
InChIKey
DWMKJZMYLQUIDA-UHFFFAOYSA-N
Canonic Smiles
C=CCCCCCC(=O)OCC
Isomeric Smiles
O(C(=O)CCCCCC=C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8987474
LogD (pH = 7.4)
2.8987474
Log P
2.8987474
Molar Refractivity
49.8374
Polarizability
19.670214
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
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References
Bioactivity
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