Molecule

ID:126209

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey
DTGKSKDOIYIVQL-WEDXCCLWSA-N
Canonic Smiles
O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
Isomeric Smiles
O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C
Calculated Properties
JChem
Acid pKa
19.604824
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9894578
LogD (pH = 7.4)
1.9894578
Log P
1.9894578
Molar Refractivity
45.3143
Polarizability
18.31186
Polar Surface Area
20.23
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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