Molecule

ID:128762

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O₃
Molecular Mass
290.39724
Exact Mass
290.18819469
Charge
0
InChI
InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1
InChIKey
GXHBCWCMYVTJOW-YGRHGMIBSA-N
Canonic Smiles
O=C1CC[C@H]2C(=C1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
Isomeric Smiles
O=C1CC[C@H]2C(=C1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Calculated Properties
JChem
Acid pKa
9.297519
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5466492
LogD (pH = 7.4)
2.541256
Log P
2.5467186
Molar Refractivity
81.9221
Polarizability
32.038216
Polar Surface Area
57.53
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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