Cas no 6624-91-5 (1,3-Dioxolane-2-propanoicacid, 2-methyl-, cyclohexyl ester)

1,3-Dioxolane-2-propanoicacid, 2-methyl-, cyclohexyl ester structure
6624-91-5 structure
Product Name:1,3-Dioxolane-2-propanoicacid, 2-methyl-, cyclohexyl ester
CAS No:6624-91-5
MF:C13H22O4
MW:242.311384677887
CID:510248
PubChem ID:243715
Update Time:2025-04-19

1,3-Dioxolane-2-propanoicacid, 2-methyl-, cyclohexyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane-2-propanoicacid, 2-methyl-, cyclohexyl ester
    • cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
    • AC1L6C6D
    • AC1Q61M1
    • CTK5C3827
    • NCI53853
    • NCIStruc1_000508
    • NCIStruc2_000349
    • NSC53853
    • NSC-53853
    • NCGC00096772-01
    • NCGC00013660
    • CHEMBL1741704
    • CCG-38252
    • NCI60_004324
    • NCGC00013660-02
    • DTXSID40288027
    • 6624-91-5
    • Inchi: 1S/C13H22O4/c1-13(15-9-10-16-13)8-7-12(14)17-11-5-3-2-4-6-11/h11H,2-10H2,1H3
    • InChI Key: PDWWQBMZXPPOMZ-UHFFFAOYSA-N
    • SMILES: O(C(CCC1(C)OCCO1)=O)C1CCCCC1

Computed Properties

  • Exact Mass: 242.15186
  • Monoisotopic Mass: 242.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Density: 1.08
  • Boiling Point: 315.3°C at 760 mmHg
  • Flash Point: 134.9°C
  • Refractive Index: 1.482
  • PSA: 44.76
  • LogP: 2.40550
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