4-Methyl-2,3-dihydrofuran
PubChem CID: 36744
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| Compound Synonyms | 4-Methyl-2,3-dihydrofuran, 3-methyl-4,5-dihydrofuran, 34314-83-5, 2,3-DIHYDRO-4-METHYLFURAN, Furan, 2,3-dihydro-4-methyl-, UNII-UPC854280M, UPC854280M, 3-Methyl-4-5-dihydrofuran, 2,3-Dihydro-4-methyl-Furan, CHEBI:51678, DTXSID90187879, DTXCID00110370, EN300-379584, Q27122709, 874-329-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CC=COCC5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Dihydrofurans |
| Description | Constituent of volatiles from cooked ham and beef and of oil from licorice roots (Glycyrrhiza glabra). 2,3-Dihydro-4-methylfuran is found in animal foods and root vegetables. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-2,3-dihydrofuran |
| Class | Dihydrofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.7 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O |
| Scaffold Graph Node Bond Level | C1=COCC1 |
| Inchi Key | FWGYRFWKBWPRJD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-dihydro-4-Methyl-furan, 3-methyl-4-5-dihydrofuran, 3-methyl-4,5-dihydrofuran, 4-Methyl-2,3-dihydrofuran, Furan, 2,3-dihydro-4-methyl-, 3-Methyl-4,5-dihydrofuran, 3-Methyl-4-5-dihydrofuran, 2,3-Dihydro-4-methylfuran, 2,3-dihydro-4-methylfuran, 2,3dihydro-4-methylfuran |
| Esol Class | Very soluble |
| Functional Groups | CC1=COCC1 |
| Compound Name | 4-Methyl-2,3-dihydrofuran |
| Kingdom | Organic compounds |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3 |
| Smiles | CC1=COCC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dihydrofurans |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Moschatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701181 - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655