2,5-Dimethyltetrahydrofuran
PubChem CID: 13855
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| Compound Synonyms | 2,5-DIMETHYLTETRAHYDROFURAN, 1003-38-9, Furan, tetrahydro-2,5-dimethyl-, 2,5-dimethyloxolane, Tetrahydro-2,5-dimethylfuran, 2,5-dimethyl-tetrahydro-furan, EINECS 213-707-6, MFCD00005369, NSC 12594, UNII-T18L0V4N9I, 2,5-Dimethyltetrahydrofuran,c&t, DTXSID10862510, 2,5-Dimethyltetrahydrofuran (stabilized with BHT), (Z+E)-2,5-dimethyl tetrahydrofuran, Furan, tetrahydro-2,5-dimethyl-, trans-(.+/-.)-, Tetrahydro2,5dimethylfuran, SCHEMBL27888, 2,5-dimethyl-tetrahydrofuran, Furan, tetrahydro2,5dimethyl, T18L0V4N9I, 2,5-ME2-THF, DTXCID10811260, NSC12594, Furan, tetrahydro-a2,a5-adimethyl-, NSC-12594, AKOS015904670, Furan, tetrahydro-2,5-dimethyl-(8CI), BS-19018, SY051657, CS-0204690, D1948, NS00042213, Furan, tetrahydro-2,5-dimethyl-(8CI)(9CI), D89954, Furan, tetrahydro-2,5-dimethyl-, trans-(+/-)-, 2,5-DIMETHYLTETRAHYDROFURAN (STABILZED WITH BHT) |
|---|---|
| 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 | CCCCCO5)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Tetrahydrofurans |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 53.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethyloxolane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | OXMIDRBAFOEOQT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2, 5-dimethyl tetrahydrofuran, 2,5dimethyltetrahydrofuran |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | 2,5-Dimethyltetrahydrofuran |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3 |
| Smiles | CC1CCC(O1)C |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.960277 - 2. Outgoing r'ship
FOUND_INto/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701172