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2,5-Dimethoxytetrahydrofuran

PubChem CID: 79098

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Compound Synonyms 2,5-Dimethoxytetrahydrofuran, 696-59-3, Tetrahydro-2,5-dimethoxyfuran, 2,5-dimethoxyoxolane, Furan, tetrahydro-2,5-dimethoxy-, Dimethoxytetrahydrofuran, Protectol DMT, 2.5-dimethoxytetrahydrofuran, MFCD00005359, 2,5-Dimethoxytetrahydrofuran,c&t, NSC 7911, EINECS 211-797-1, 2,5-dimethoxy-tetrahydrofuran, AI3-61757, DTXSID10862378, EC 211-797-1, cis,trans-2,5-Dimethoxytetrahydrofuran, 2,5-Bis(methyloxy)tetrahydrofuran, 2,5-Dimethoxytetrahydrofuran, Dimethoxytetrahydrofuran, NSC 7911, 2,5-dimethoxytetrahydrofurane, 2,5 dimethoxy tetrahydrofuran, 2,5-dimethoxy tetrahydrofuran, Dimethoxytetrahydrofuran (VAN), Furan,5-dimethoxy-, DMTHF, 2,5-dimethoxytetrahyrofuran, 2,5 dimethoxytetrahydrofuran, SCHEMBL58448, 2.5-dimethoxytetrahydrofurane, 2,5-dimethoxytetra-hydrofuran, 2,5-dimethoxy-tetrahydrofurane, 2,5-dimethoxy tetrahydro furan, 2,5-dimethoxy-tetrahydro-furan, DTXCID60811154, NSC7911, 2,5-bis(methyloxy)tetrahydrofuran, NSC-7911, STL194266, AKOS000119966, CS-W020517, FD00819, AC-15670, AS-11451, 2,5-Dimethoxytetrahydrofuran, cis + trans, D0986, NS00004785, EN300-19750, D77900, 2,5-Dimethoxytetrahydrofuran (cis- and trans- mixture), F0001-1807, 2,5-Dimethoxytetrahydrofuran, mixture of (cis) and trans
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 27.7
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Deep Smiles COCCCCO5)OC
Heavy Atom Count 9.0
Classyfire Class Tetrahydrofurans
Scaffold Graph Node Level C1CCOC1
Isotope Atom Count 0.0
Molecular Complexity 74.4
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,5-dimethoxyoxolane
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 0.6
Gsk 4 400 Rule True
Molecular Formula C6H12O3
Scaffold Graph Node Bond Level C1CCOC1
Inchi Key GFISDBXSWQMOND-UHFFFAOYSA-N
Silicos It Class Soluble
Rotatable Bond Count 2.0
Synonyms tetrahydro-2,5-dimethoxy furan
Esol Class Very soluble
Functional Groups COC1CCC(OC)O1
Compound Name 2,5-Dimethoxytetrahydrofuran
Exact Mass 132.079
Formal Charge 0.0
Monoisotopic Mass 132.079
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 132.16
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/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
Smiles COC1CCC(O1)OC
Defined Bond Stereocenter Count 0.0
Egan Rule True

  • 1. Outgoing r'ship FOUND_IN to/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222