6-Methylcryptoacetalide
PubChem CID: 5319566
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| Compound Synonyms | 6-Methylcryptoacetalide, (3S)-4',5,6,6-tetramethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-4',5,6,6-tetramethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOIFYOGQGNHQEI-OWRIGNJKSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | -5.764 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.078 |
| Compound Name | 6-Methylcryptoacetalide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.865285781818182 |
| Inchi | InChI=1S/C19H24O3/c1-11-9-19(21-10-11)14-8-12(2)16-13(15(14)17(20)22-19)6-5-7-18(16,3)4/h8,11H,5-7,9-10H2,1-4H3/t11?,19-/m0/s1 |
| Smiles | CC1C[C@]2(C3=C(C4=C(C(=C3)C)C(CCC4)(C)C)C(=O)O2)OC1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Aegyptiaca (Plant) Rel Props:Source_db:cmaup_ingredients