Molecule

ID:112777

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3
InChIKey
OXTQEWUBDTVSFB-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(CC1C)(C)C
Isomeric Smiles
CC1CC(C)(C)CC1=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1736782
LogD (pH = 7.4)
2.1736782
Log P
2.1736782
Molar Refractivity
37.2446
Polarizability
14.80832
Polar Surface Area
17.07
Rotatable Bonds
0
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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