Molecule

ID:128829

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O
Molecular Mass
222.36634
Exact Mass
222.19836545
Charge
0
InChI
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14?,15+/m0/s1
InChIKey
GGHMUJBZYLPWFD-HUNCPNHISA-N
Canonic Smiles
C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@@H](C2(C)C)CC3)C)O
Isomeric Smiles
O[C@@]12CC[C@@H]([C@@H]3C[C@H](CC[C@]13C)C2(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5033436
LogD (pH = 7.4)
3.5033453
Log P
3.5033453
Molar Refractivity
66.2185
Polarizability
26.800741
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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