2,3,5-Trimethylfuran
PubChem CID: 517859
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| Compound Synonyms | 2,3,5-Trimethylfuran, 10504-04-8, Furan, 2,3,5-trimethyl-, 2,3,5-Trimethyl-Furan, MFCD03931179, DTXSID10146923, 2,3,5-trimethyluran, 2,3,5-Trimethylfuran #, SCHEMBL182910, DTXCID0069414, SCHEMBL10768398, CHEBI:189311, BBL102599, GEO-02420, STL556402, AKOS005257003, MS-20465, CS-0339599 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | Ccoccc5)C))C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.5 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,5-trimethylfuran |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | NJXZFRUNHWKHEC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3,5-Trimethyl-furan, 2,3,5-trimethyl furan, 2,3,5-trimethylfuran |
| Esol Class | Soluble |
| Functional Groups | coc |
| Compound Name | 2,3,5-Trimethylfuran |
| Kingdom | Organic compounds |
| Exact Mass | 110.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3 |
| Smiles | CC1=CC(=C(O1)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
- 1. Outgoing r'ship
FOUND_INto/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279