Cas no 126454-05-5 (3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-)

3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]- structure
126454-05-5 structure
Product Name:3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-
CAS No:126454-05-5
MF:C29H48O7
MW:508.687230110168
CID:231066
PubChem ID:3079798
Update Time:2025-04-19

3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]- Chemical and Physical Properties

Names and Identifiers

    • 3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-
    • 4-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5<sup>7</sup>.3<sup>5</sup>]pentadec-13-en-9-yl]hexan-3-one
    • 3-Hexanone, 4-(2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro(4.1.5.3)pentadec-13-en-9-yl)-
    • BRN 4603272
    • 126454-05-5
    • 4-[2-(5-Ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5~7~.3~5~]pentadec-13-en-9-yl]hexan-3-one
    • DTXSID30925555
    • Inchi： 1S/C29H48O7/c1-8-21(22(30)9-2)25-18(4)17-19(5)28(34-25)14-11-23(31)29(36-28)16-15-26(7,35-29)24-12-13-27(32,10-3)20(6)33-24/h11,14,18-21,23-25,31-32H,8-10,12-13,15-17H2,1-7H3
    • InChI Key： IIJUJSZXIGNQKP-UHFFFAOYSA-N
    • SMILES： O1C2(C(C=CC3(C(C)CC(C)C(C(C(CC)=O)CC)O3)O2)O)CCC1(C)C1CCC(CC)(C(C)O1)O

Computed Properties

  • Exact Mass: 508.34014
  • Monoisotopic Mass: 508.34
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 6
  • Complexity: 846
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 11
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 94.4?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 625.4°C at 760 mmHg
  • Flash Point: 196.2°C
  • Refractive Index: 1.536
  • PSA: 94.45

3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]- Related Literature

Related Categories

126454-05-5 (3-Hexanone,4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-) Related Products

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