Cas no 32368-14-2 (1,3-Dioxan-2-one, 5,5-dimethyl-4-(1-methylethyl)-)

1,3-Dioxan-2-one, 5,5-dimethyl-4-(1-methylethyl)- structure
32368-14-2 structure
Product Name:1,3-Dioxan-2-one, 5,5-dimethyl-4-(1-methylethyl)-
CAS No:32368-14-2
MF:C9H16O3
MW:172.221543312073
CID:292950
PubChem ID:14323969
Update Time:2025-04-19

1,3-Dioxan-2-one, 5,5-dimethyl-4-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxan-2-one, 5,5-dimethyl-4-(1-methylethyl)-
    • 5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-one
    • AKOS006276708
    • 5,5-Dimethyl-4-(propan-2-yl)-1,3-dioxan-2-one
    • SCHEMBL1666856
    • 4-isopropyl-5,5-dimethyl-1,3-dioxan-2-one
    • 4-ISOPROPYL-5,5-DIMETHYL-[1,3]DIOXAN-2-ONE
    • DTXSID90558929
    • 32368-14-2
    • G63812
    • Inchi: 1S/C9H16O3/c1-6(2)7-9(3,4)5-11-8(10)12-7/h6-7H,5H2,1-4H3
    • InChI Key: UHKHSJAFYFTMSC-UHFFFAOYSA-N
    • SMILES: O1C(=O)OCC(C)(C)C1C(C)C

Computed Properties

  • Exact Mass: 172.10998
  • Monoisotopic Mass: 172.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

1,3-Dioxan-2-one, 5,5-dimethyl-4-(1-methylethyl)- Pricemore >>

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