2-Methyltetrahydrofuran
PubChem CID: 7301
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| Compound Synonyms | 2-METHYLTETRAHYDROFURAN, 96-47-9, 2-Methyloxolane, Methyltetrahydrofuran, Tetrahydro-2-methylfuran, Tetrahydrosylvan, Furan, tetrahydro-2-methyl-, Furan, 2-methyl-tetrahydro-, Furan, tetrahydromethyl-, 25265-68-3, methyl tetrahydrofuran, 2-MeTHF, Tetrahydrosilvan, FCD0VD8ALF, UNII-FCD0VD8ALF, NSC 2115, 2-Methylfuranidine, EINECS 202-507-4, BRN 0102448, CCRIS 8717, DTXSID9030258, AI3-25425, NSC-2115, EINECS 246-769-8, MFCD00005367, UN2536, Tetrahydrofuran, 2-methyl-, DTXCID7010258, EC 202-507-4, 5-17-01-00078 (Beilstein Handbook Reference), 2-METHYLTETRAHYDROFURAN [MI], (+/-)-2-METHYLTETRAHYDROFURAN, 2-methyl tetrahydrofuran, 2-methyl-tetrahydrofuran, 2-methyl-tetrahydro-furan, 2Methyloxolane, MeTHF, (+/-)-2-Methyltetrahydrofuran, MTHF, NSC 2115, Tetrahydro-2-methylfuran, Tetrahydrosylvan, 2-Me-THF, methyl-tetrahydrofuran, Tetrahydro2methylfuran, Me-THF, Methyl tetrahydrofurane, 2-methyltetrahyrdofuran, 2-methyltetrahydrofurane, Furan, 2methyltetrahydro, Furan, tetrahydro2methyl, 2-methyl tetrahydrofurane, 2-methyl-tetrahydrofurane, Tetrahydrosylvan, Methy THF, WLN: T5OTJ B1, (2S)-2-methyltetrahydrofuran, CHEMBL1580503, NSC2115, BCP16203, STR08776, Tox21_200383, AKOS009157664, FM14741, CAS-96-47-9, NCGC00090914-01, NCGC00090914-02, NCGC00257937-01, 2-Methyltetrahydrofuran, analytical standard, DB-015964, CS-0010107, M0437, NS00007944, 2-Methyltetrahydrofuran (stabilized with BHT), 2-Methyltetrahydrofuran - Stabilized with BHT, EN300-60207, E80342, 2-Methyltetrahydrofuran, purum, >=97.0% (GC), Q209444, Methyltetrahydrofuran [UN2536] [Flammable liquid], 2-Methyltetrahydrofuran, 99+%, unstabilized, Extra Dry, 2-Methyltetrahydrofuran, anhydrous, >=99%, Inhibitor-free, 2-Methyltetrahydrofuran, absolute, stored over molecular sieve, 2-Methyltetrahydrofuran, stabilized, anhydrous, water Max 20ppm, 2-Methyltetrahydrofuran, anhydrous, >=99.0%, contains 250 ppm BHT as stabilizer, 2-Methyltetrahydrofuran, ReagentPlus(R), >=99.5%, contains 150-400 ppm BHT as stabilizer, 2-Methyltetrahydrofuran, anhydrous, contains 250 ppm BHT as stabilizer, ZerO2(TM), >=99.0%, 246-769-8 |
|---|---|
| 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 | Menthane monoterpenoids |
| Deep Smiles | CCCCCO5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Tetrahydrofurans |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 43.2 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyloxolane |
| Class | Tetrahydrofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.0 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | JWUJQDFVADABEY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-Methyltetrahydrofuran, 2-methyltetrahydrofuran |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | 2-Methyltetrahydrofuran |
| Kingdom | Organic compounds |
| Exact Mass | 86.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.13 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3 |
| Smiles | CC1CCCO1 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tetrahydrofurans |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700131