Methyl 2-(3,7-dimethylocta-2,6-dienoxy)-6-hydroxy-3-(hydroxymethyl)-4-methoxybenzoate
PubChem CID: 71438032
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| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-(3,7-dimethylocta-2,6-dienoxy)-6-hydroxy-3-(hydroxymethyl)-4-methoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C20H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCIDBPJGNGIQDM-UHFFFAOYSA-N |
| Fcsp3 | 0.45 |
| Logs | -3.577 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.49 |
| Compound Name | Methyl 2-(3,7-dimethylocta-2,6-dienoxy)-6-hydroxy-3-(hydroxymethyl)-4-methoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.369684830769231 |
| Inchi | InChI=1S/C20H28O6/c1-13(2)7-6-8-14(3)9-10-26-19-15(12-21)17(24-4)11-16(22)18(19)20(23)25-5/h7,9,11,21-22H,6,8,10,12H2,1-5H3 |
| Smiles | CC(=CCCC(=CCOC1=C(C(=CC(=C1CO)OC)O)C(=O)OC)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acca Sellowiana (Plant) Rel Props:Source_db:cmaup_ingredients