Molecule

ID:110148

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O
Molecular Mass
234.37704
Exact Mass
234.19836545
Charge
0
InChI
InChI=1S/C16H26O/c1-3-15(11-7-5-8-12-15)17-16(4-2)13-9-6-10-14-16/h3-4H,1-2,5-14H2
InChIKey
AQQWKBSXGVQULP-UHFFFAOYSA-N
Canonic Smiles
C=CC1(CCCCC1)OC1(C=C)CCCCC1
Isomeric Smiles
C=CC1(CCCCC1)OC1(CCCCC1)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.033128
LogD (pH = 7.4)
5.033128
Log P
5.033128
Molar Refractivity
73.1455
Polarizability
28.988358
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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