3,4-dihydro-2H-pyran
PubChem CID: 8080
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| Compound Synonyms | 3,4-Dihydro-2H-pyran, 110-87-2, DIHYDROPYRAN, 3,4-Dihydropyran, 2H-3,4-Dihydropyran, 2,3-Dihydro-4H-pyran, Dihydro-2H-pyran, 2H-Pyran, dihydro-, 2,3-Dihydropyran, 2H-Pyran, 3,4-dihydro-, 5,6-Dihydro-4H-pyran, dihydropyrane, Dihydropyran (VAN), .delta.2-Dihydropyran, 3,4-Dihydro-2-pyran, 2,3dihydropyran, Pyran, dihydro-, UNII-T6V9N71IHX, Dihydro-2h-pyran, 3,4-, T6V9N71IHX, MFCD00006558, 1,2-Pyran, 3,4-dihydro-, DTXSID6041426, 3,4-Dihdro-2H-pyrane, EINECS 203-810-4, DIHYDROPYRAN [MI], NSC 57860, NSC-57860, NSC-73472, UN2376, AI3-16497, DTXCID4021426, EC 203-810-4, 2-PYRAN, 3,4-DIHYDRO-, WLN: T6O BUTJ, 2,3-dihydropyrane, delta2-Dihydropyran, 3,4-dihydro-2H-pyrane, dihyrdopyran, dihyropyran, Dihydro2Hpyran, Pyran, dihydro, delta2Dihydropyran, 2,3-dihyropyran, 2,4-dihydropyran, 4,5-dihydropyran, 2,3DihIdropIrano, 3,4-dihydropyrane, 2,3Dihydro4Hpyran, 2H3,4Dihydropyran, 3,4Dihydro2Hpyran, 5,6Dihydro4Hpyran, 2,3-dihydro-pyran, 3,4-dihydro-pyran, Dihydro2,3 pyranne, 2,3Dihydrogammapyran, 3,4dihydro-2H-pyran, 2HPyran, 3,4dihydro, 3,4Dihydro2(H)pyran, 3,4-dihyro-2H-pyran, Pyran, 2,3-dihydro-, 3,4-dihydro-2h pyran, 3, 4dihydro-2H-pyran, 3,4 dihydro-2H-pyran, 3,4-dihydro 2H-pyran, 3,4-dihydro-1H-pyran, 3.4-dihydro-2H-pyran, 2,3-dihydro-4H-pyrane, 3,4-Dihydro(2H)pyran, 2,3-dihydro-4-H-pyran, 3,4- dihydro-2H-pyran, 3,4-dihydro-2 H-pyran, 3,4-dihydro-2-H-pyran, 3,4-dihydro-2H -pyran, 3,4-dihydro-2-H-pyrane, 3,4-dihydro-[2H]-pyran, .delta.(Sup2)-Dihydropyran, 3,4 - Dihydro-2H-pyran, CHEMBL3184439, 2,3DihIdropIrano (Spanish DOT), 3,4-Dihydro-2H-pyran, 97%, Dihydro2,3 pyranne (French DOT), 3,4-DIHYDRO-2(H)-PYRAN, AAA11087, NSC57860, NSC73472, STR01188, 2,3-DIHYDRO-.GAMMA.-PYRAN, Tox21_301188, STL146593, AKOS000121126, CS-W013755, NCGC00248323-01, NCGC00255086-01, BP-21473, CAS-110-87-2, DB-002492, D0555, NS00003641, EN300-26571, D78128, 2,3-Dihydropyran [UN2376] [Flammable liquid], 3,4-Dihydro-2H-pyran, purum, >=95.0% (GC), Q419349, F0001-0228, 5,6-Dihydro-4H-pyran, DHP, 5,6-Dihydro-4H-pyran, Dihydropyran, 203-810-4, 247-062-7 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Iridoids monoterpenoids |
| Deep Smiles | CCOC=CC6 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Oxacyclic compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydro-2H-pyran |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O |
| Scaffold Graph Node Bond Level | C1=COCCC1 |
| Inchi Key | BUDQDWGNQVEFAC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3,4-dihydropyran |
| Esol Class | Very soluble |
| Functional Groups | CC=COC |
| Compound Name | 3,4-dihydro-2H-pyran |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2 |
| Smiles | C1CC=COC1 |
| 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 Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958544