Cas no 81657-07-0 (Diethyl 2,2'-Tricyclo3.3.1.1~3,7~decane-1,3-diyldiacetate)

Diethyl 2,2'-Tricyclo3.3.1.1~3,7~decane-1,3-diyldiacetate structure
81657-07-0 structure
Product Name:Diethyl 2,2'-Tricyclo3.3.1.1~3,7~decane-1,3-diyldiacetate
CAS No:81657-07-0
MF:C18H28O4
MW:308.412526130676
CID:1029954
PubChem ID:13547478
Update Time:2025-04-20

Diethyl 2,2'-Tricyclo3.3.1.1~3,7~decane-1,3-diyldiacetate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 2,2'-(adamantane-1,3-diyl)diacetate
    • DIETHYL 1,3-ADAMANTANEDIACETATE
    • Diethyl 2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiacetate
    • Tricyclo[3.3.1.1(3,7)]decane-1,3-diacetic acid diethyl ester
    • Diethyl 2,2'-tricyclo[3.3.1.1(3,7)]decane-1,3-diyldiacetate
    • ethyl 2-[3-(2-ethoxy-2-oxoethyl)adamantan-1-yl]acetate
    • 81657-07-0
    • DTXSID00543462
    • Diethyl2,2'-(adamantane-1,3-diyl)diacetate
    • MFCD09743482
    • ethyl 2-[3-(2-ethoxy-2-oxoethyl)-1-adamantyl]acetate
    • Diethyl 2,2'-(tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)diacetate
    • AKOS005173997
    • LS-04338
    • DB-307817
    • Diethyl 2,2'-Tricyclo3.3.1.1~3,7~decane-1,3-diyldiacetate
    • MDL: MFCD09743482
    • Inchi: 1S/C18H28O4/c1-3-21-15(19)10-17-6-13-5-14(7-17)9-18(8-13,12-17)11-16(20)22-4-2/h13-14H,3-12H2,1-2H3
    • InChI Key: OKUZLGBPKJLVJL-UHFFFAOYSA-N
    • SMILES: O(CC)C(CC12CC3CC(CC(CC(=O)OCC)(C3)C1)C2)=O

Computed Properties

  • Exact Mass: 308.19875937g/mol
  • Monoisotopic Mass: 308.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 8
  • Complexity: 404
  • 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: 3.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.112±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.012 g/l) (25 o C),

Diethyl 2,2'-Tricyclo3.3.1.1~3,7~decane-1,3-diyldiacetate Pricemore >>

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