(E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-en-1-ol
PubChem CID: 10541222
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3760102 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-en-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C19H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIMQCOSUCMGDNS-WUSSVBECSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.611 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.139 |
| Compound Name | (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-en-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.455501571428572 |
| Inchi | InChI=1S/C19H26O2/c1-16(2)6-4-7-17(3)13-15-21-19-11-9-18(10-12-19)8-5-14-20/h5-6,8-13,20H,4,7,14-15H2,1-3H3/b8-5+,17-13+ |
| Smiles | CC(=CCC/C(=C/COC1=CC=C(C=C1)/C=C/CO)/C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
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