Molecule

ID:103200

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
InChIKey
XSNQECSCDATQEL-UHFFFAOYSA-N
Canonic Smiles
C=CC(CCCC(O)(C)C)C
Isomeric Smiles
CC(CCCC(C)(C)O)C=C
Calculated Properties
JChem
LogD (pH = 7.4)
2.82
LogD (pH = 5.5)
2.82
Log P
2.82
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.25
Polar Surface Area
20.23
Polarizability
19.82
Molar Refractivity
49.59
LOG S
-2.42
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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