3,6-Dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran
PubChem CID: 131752931
Connections displayed (default: 10).
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| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | DBDSRLQPJKTGQF-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | (+-)-Dill ether, 2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran, 9CI, 3,6-Dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran, 3,6-Dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran, 3,7-dimethyl-4,5,6,9-tetrahydrocoumaran, 3,9-epoxy-1-p-menthene, Anethofuran |
| Heavy Atom Count | 11.0 |
| Compound Name | 3,6-Dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran |
| Description | Isolated from the leaf oil of Anethum graveolens (dill) [CCD]. Anethofuran is found in dill and herbs and spices. |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H16O/c1-7-3-4-10-8(2)11-6-9(10)5-7/h5,8-10H,3-4,6H2,1-2H3 |
| Smiles | CC1C2CCC(=CC2CO1)C |
| Xlogp | 1.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16O |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all