2,5-Dihydro-3-methylfuran
PubChem CID: 533662
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| Compound Synonyms | 2,5-Dihydro-3-methylfuran, 3-Methyl-2,5-dihydrofuran, 1708-31-2, Furan, 2,5-dihydro-3-methyl-, 2,5-dihydro-3-methylfurane, DTXSID80336415, 3-Methyl-2,5-dihydrofuran #, DTXCID30287504 |
|---|---|
| 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 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=CCOC5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Dihydrofurans |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2,5-dihydrofuran |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O |
| Scaffold Graph Node Bond Level | C1=CCOC1 |
| Inchi Key | GSDYNJRRFBBEJS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | furane,2,5-dihydro-3-methyl |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, COC |
| Compound Name | 2,5-Dihydro-3-methylfuran |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3 |
| Smiles | CC1=CCOC1 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4