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    CAS 204254-96-6

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    CAS 204254-96-6
    Also known as: 204254-96-6, (1s,5r,6s)-ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate, Ethyl (3r,4s,5s)-4,5-epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate, Ethyl (1s,5r,6s)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate, Ethyl (1s,5r,6s)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate, (1s,5r,6s)-ethyl 5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
    Molecular Formula
    C14H22O4
    Molecular Weight
    254.32  g/mol
    InChI Key
    XZXCGRFGEVXWIT-FRRDWIJNSA-N
    1 2D Structure

    CAS 204254-96-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
    2.1.2 InChI
    InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
    2.1.3 InChI Key
    XZXCGRFGEVXWIT-FRRDWIJNSA-N
    2.1.4 Canonical SMILES
    CCC(CC)OC1C=C(CC2C1O2)C(=O)OCC
    2.1.5 Isomeric SMILES
    CCC(CC)O[C@@H]1C=C(C[C@H]2[C@@H]1O2)C(=O)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 204254-96-6

    2. (1s,5r,6s)-ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate

    3. Ethyl (3r,4s,5s)-4,5-epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate

    4. Ethyl (1s,5r,6s)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

    5. Ethyl (1s,5r,6s)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

    6. (1s,5r,6s)-ethyl 5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

    7. Ethyl (1s,5r,6s)-5-(1-ethylpropoxy)-7-oxabicyclo(4.1.0)hept-3-ene-3-carboxylate

    8. Ec 429-020-1

    9. Ethyl(3r,4s,5s)-4,5-epoxy-3-(1-ethyl-propoxy)-cyclohex-1-ene-1-carboxylate

    10. Dfo-5

    11. Amy334

    12. Schembl5182791

    13. Ethyl(3r,4s,5s)4,5-epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate

    14. Dtxsid50942603

    15. Act03233

    16. Bcp11027

    17. Ac-417

    18. Mfcd08063944

    19. Zinc21999747

    20. Akos015895233

    21. Cs-0091283

    22. H10974

    23. 254e966

    24. (1s,5r,6s)-ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3ene-3-carboxylate

    25. Ethyl (1s,5r,6s)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

    26. Ethyl(1s,5r,6s)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate

    27. (1alpha,6alpha)-5beta-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hepta-3-ene-3-carboxylic Acid Ethyl Ester

    28. (1s,5r,6s)-5-(1-ethyl-propoxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester

    29. 7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid, 5-(1-ethylpropoxy)-, Ethyl Ester, (1s,5r,6s)-

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 254.32 g/mol
    Molecular Formula C14H22O4
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass254.15180918 g/mol
    Monoisotopic Mass254.15180918 g/mol
    Topological Polar Surface Area48.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity333
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...
      ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.
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      Oseltamivir Phosphate
      Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a...
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          Oseltamivir Phosphate
          TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
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