Molecule

ID:136132

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
102.17476
Exact Mass
102.10446507
Charge
0
InChI
InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
InChIKey
HVZJRWJGKQPSFL-UHFFFAOYSA-N
Canonic Smiles
CCC(OC)(C)C
Isomeric Smiles
COC(C)(C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7010314
LogD (pH = 7.4)
1.7010314
Log P
1.7010314
Molar Refractivity
31.3421
Polarizability
12.476034
Polar Surface Area
9.23
Rotatable Bonds
2
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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