Cas no 36183-27-4 (1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, methyl ester, (4R,5R)-rel-)

1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, methyl ester, (4R,5R)-rel- structure
36183-27-4 structure
Product Name:1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, methyl ester, (4R,5R)-rel-
CAS No:36183-27-4
MF:C8H14O4
MW:174.194363117218
CID:323325
PubChem ID:252854
Update Time:2025-04-19

1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, methyl ester, (4R,5R)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, methyl ester, (4R,5R)-rel-
    • methyl (4S,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
    • 36183-27-4
    • starbld0008064
    • 117181-61-0
    • NSC75103
    • (4S,5S)-2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester
    • SCHEMBL15325117
    • NSC-75103
    • DTXSID80957588
    • Inchi: 1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3/t5-,6-/m0/s1
    • InChI Key: AELKYRWKHKGMAD-WDSKDSINSA-N
    • SMILES: O1[C@@H](C)[C@@H](C(=O)OC)OC1(C)C

Computed Properties

  • Exact Mass: 174.08922
  • Monoisotopic Mass: 174.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 1.044
  • Boiling Point: 243.8°Cat760mmHg
  • Flash Point: 93.9°C
  • Refractive Index: 1.417
  • PSA: 44.76
  • LogP: 0.69940

1,3-Dioxolane-4-carboxylicacid, 2,2,5-trimethyl-, methyl ester, (4R,5R)-rel- Related Literature

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