[8-(4-Acetyloxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalen-2-yl] acetate
PubChem CID: 162867527
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| Topological Polar Surface Area | 52.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 539.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [8-(4-acetyloxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalen-2-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C24H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXYXAGRXNUGPEZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -6.252 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.277 |
| Compound Name | [8-(4-Acetyloxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalen-2-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 384.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.611284914285714 |
| Inchi | InChI=1S/C24H32O4/c1-15(2)21-13-19-11-10-16(3)20(22(19)14-23(21)27-17(4)25)9-8-12-24(6,7)28-18(5)26/h10-11,13-15H,8-9,12H2,1-7H3 |
| Smiles | CC1=C(C2=CC(=C(C=C2C=C1)C(C)C)OC(=O)C)CCCC(C)(C)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Oxylobum (Plant) Rel Props:Source_db:cmaup_ingredients