2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
PubChem CID: 137640795
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| Compound Synonyms | CHEMBL4073868 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 507.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 7.9 |
| Molecular Formula | C26H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCIRCJYTFRVGKB-XYKMZGTISA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -4.51 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.055 |
| Compound Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 376.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.887290857142857 |
| Inchi | InChI=1S/C26H32O2/c1-20(2)10-9-11-21(3)14-17-24-25(27-4)18-23(19-26(24)28-5)16-15-22-12-7-6-8-13-22/h6-8,10,12-16,18-19H,9,11,17H2,1-5H3/b16-15+,21-14+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=C(C=C1OC)/C=C/C2=CC=CC=C2)OC)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amorpha Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients