Cas no 109956-89-0 (Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)-)

Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)- structure
109956-89-0 structure
Product Name:Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)-
CAS No:109956-89-0
MF:C15H20O2
MW:232.318104743958
CID:181690
PubChem ID:163806
Update Time:2025-04-19

Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)- Chemical and Physical Properties

Names and Identifiers

    • Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)-
    • (1aR,3aS,6aS,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclop ropa[e]indene-1a,2(1H)-dicarbaldehyde
    • Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,...
    • ISO-ISOVELLERAL
    • (1-Acetoxy-cyclohexyl)-phenyl-keton
    • < 1-Acetoxy-cyclohexyl> -phenyl-keton
    • 1-benzoylcyclohexyl acetate
    • 1-Benzoyl-cyclohexylacetat
    • AC1L80ZE
    • Isovelleral
    • NSC401647
    • (1aR)-3aβ,4,5,6,6aβ,6b-Hexahydro-5,5,6bβ-trimethylcycloprop[e]indene-1aβ,2(1H)-dicarbaldehyde
    • (1aR,3aS,6aS,6bS)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
    • 109956-89-0
    • 5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-dicarbaldehyde
    • Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)-
    • CCRIS 5097
    • DTXSID80911408
    • Inchi: 1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14+,15+/m1/s1
    • InChI Key: PJAAESPGJOSQGZ-WCUVEOEZSA-N
    • SMILES: O=C[C@@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C2

Computed Properties

  • Exact Mass: 232.146
  • Monoisotopic Mass: 232.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 434
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 1.211
  • Boiling Point: 322.8°Cat760mmHg
  • Flash Point: 120.9°C
  • Refractive Index: 1.637
  • PSA: 34.14000
  • LogP: 2.77300

Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)- Related Literature

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