Cas no 24190-29-2 (3-Buten-2-one,4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)-)

3-Buten-2-one,4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)- structure
24190-29-2 structure
Product Name:3-Buten-2-one,4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)-
CAS No:24190-29-2
MF:C13H20O
MW:192.297304153442
CID:272321
PubChem ID:5498521
Update Time:2025-04-19

3-Buten-2-one,4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-one,4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)-
    • (3E)-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one
    • (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • (R-(E))-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • 4'-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3'-buten-2'-one
    • AC1LCVGL
    • b8-7
    • c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14
    • C13H20O
    • EINECS 246-069-2
    • h6-8,12H,5,9H2,1-4H3
    • SureCN5590917
    • UNII-QP734LIN1K component UZFLPKAIBPNNCA-ABZNLYFFSA-N
    • [R-(E)]-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • (r)-(+)-alpha-ionone
    • DTXSID801317981
    • (+)-(6R)-alpha-Ionone
    • (r)-alpha-ionone
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (R)-(+)- (8CI)
    • (R)-(E)-4,7-Megastigmadien-9-one
    • 3-Buten-2-one, 4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)-
    • (+)-alpha-Ionone
    • 24190-29-2
    • (S)-4-trans-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-one
    • 4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-(3E)-3-Buten-2-one
    • SCHEMBL5591019
    • Q63395348
    • (3E)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
    • Inchi: 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
    • InChI Key: UZFLPKAIBPNNCA-GUOLPTJISA-N
    • SMILES: O=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C

Computed Properties

  • Exact Mass: 192.1515
  • Monoisotopic Mass: 192.151415
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 282
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1
  • XLogP3: 3

Experimental Properties

  • PSA: 17.07
  • LogP: 3.51410
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