Cas no 1985-84-8 (Hexanedioic acid,1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester)

Hexanedioic acid,1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester structure
1985-84-8 structure
Product Name:Hexanedioic acid,1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester
CAS No:1985-84-8
MF:C22H34O6
MW:394.501767635345
CID:156412
PubChem ID:16138
Update Time:2025-04-19

Hexanedioic acid,1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid,1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester
    • bis[(3,4-epoxy-6-methylcyclohexyl)methyl] adipate
    • bis[(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl] hexanedioate
    • ADIPIC ACID,BIS(3,4-EPOXY-6-METHYLCYCLOHEXYLMETHYL) ESTER
    • Bis(3,4-epoxy-6-methylcyclohexylmethyl)adipate
    • Di(3,4-epoxy-6-methylcyclohexylmethyl)adipate
    • EINECS 217-857-3
    • EP-289
    • Hexanedioic acid,bis(4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl ester
    • Mark-135B
    • Adipic acid bis(3,4-epoxy-6-methylcyclohexan-1-ylmethyl) ester
    • Adipic acid bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] ester
    • Bis((3,4-epoxy-6-methylcyclohexyl)methyl) adipate
    • Hexanedioic acid, bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester
    • ADIPIC ACID, BIS(3,4-EPOXY-6-METHYLCYCLOHEXYLMETHYL) ESTER
    • Hexanedioic acid, bis(4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl ester
    • 1985-84-8
    • bis[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
    • SCHEMBL76024
    • Hexanedioic acid, 1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester
    • DTXSID60883710
    • NS00045435
    • Hexanedioic acid, 1,6-bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
    • bis[(3,4-epoxy-6-methylcyclohexyl)methyl]adipate
    • Hexanedioic acid, bis((4-methyl-7-oxabicyclo(4.1.0)hept-3-yl)methyl) ester
    • Inchi： 1S/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3
    • InChI Key： LMMDJMWIHPEQSJ-UHFFFAOYSA-N
    • SMILES： O1C2CC(C)C(COC(CCCCC(=O)OCC3CC4C(CC3C)O4)=O)CC12

Computed Properties

  • Exact Mass: 394.23600
  • Monoisotopic Mass: 394.23553880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 11
  • Complexity: 527
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 77.7?2

Experimental Properties

  • Density: 1.0936 (rough estimate)
  • Boiling Point: 478.7°C (rough estimate)
  • Refractive Index: 1.5200 (estimate)
  • PSA: 77.66000
  • LogP: 3.26020

Hexanedioic acid,1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester Related Literature

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