Cas no 17768-32-0 (Tricyclo[3.3.1.13,7]decane-1,3-diaceticacid, 5,7-dimethyl-, 1,3-dimethyl ester)

Tricyclo[3.3.1.13,7]decane-1,3-diaceticacid, 5,7-dimethyl-, 1,3-dimethyl ester structure
17768-32-0 structure
Product Name:Tricyclo[3.3.1.13,7]decane-1,3-diaceticacid, 5,7-dimethyl-, 1,3-dimethyl ester
CAS No:17768-32-0
MF:C18H28O4
MW:308.412526130676
CID:224641
PubChem ID:429461
Update Time:2025-04-19

Tricyclo[3.3.1.13,7]decane-1,3-diaceticacid, 5,7-dimethyl-, 1,3-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Tricyclo[3.3.1.13,7]decane-1,3-diaceticacid, 5,7-dimethyl-, 1,3-dimethyl ester
    • methyl 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate
    • NSC255328
    • 17768-32-0
    • DTXSID10330446
    • NSC-255328
    • Inchi： 1S/C18H28O4/c1-15-7-16(2)10-17(8-15,5-13(19)21-3)12-18(9-15,11-16)6-14(20)22-4/h5-12H2,1-4H3
    • InChI Key： FEMRSVUPDZMTRG-UHFFFAOYSA-N
    • SMILES： O(C)C(CC12CC3(C)CC(C)(CC(CC(=O)OC)(C3)C1)C2)=O

Computed Properties

  • Exact Mass: 308.19884
  • Monoisotopic Mass: 308.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 451
  • 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: 4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.127
  • Boiling Point: 348.7°C at 760 mmHg
  • Flash Point: 160.9°C
  • Refractive Index: 1.516
  • PSA: 52.6

Tricyclo[3.3.1.13,7]decane-1,3-diaceticacid, 5,7-dimethyl-, 1,3-dimethyl ester Related Literature

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