Molecule

ID:110706

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆
Molecular Mass
170.33484
Exact Mass
170.20345083
Charge
0
InChI
InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
InChIKey
VKPSKYDESGTTFR-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C)(C)C)CC(C)(C)C
Isomeric Smiles
CC(CC(C)(C)C)CC(C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
5.04
LogD (pH = 5.5)
5.04
Log P
5.04
Rotatable Bonds
4
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
23.22
Molar Refractivity
56.61
LOG S
-5.28
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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