Cas no 7651-50-5 (5,5-dimethyl-2-isopropyl-1,3-dioxane)

5,5-dimethyl-2-isopropyl-1,3-dioxane structure
7651-50-5 structure
Product Name:5,5-dimethyl-2-isopropyl-1,3-dioxane
CAS No:7651-50-5
MF:C9H18O2
MW:158.238023281097
CID:862067
PubChem ID:82103
Update Time:2025-04-19

5,5-dimethyl-2-isopropyl-1,3-dioxane Chemical and Physical Properties

Names and Identifiers

    • 5,5-dimethyl-2-isopropyl-1,3-dioxane
    • 2-Isopropyl-5,5-Dimethyl-1,3-dioxane
    • 5,5-dimethyl-2-propan-2-yl-1,3-dioxane
    • DTXSID50227321
    • AI3-23742
    • MFCD30533814
    • SCHEMBL10207656
    • NSC75465
    • M-DIOXANE, 2-ISOPROPYL-5,5-DIMETHYL-
    • EINECS 231-611-2
    • NSC-75465
    • UNII-DC458W5KSJ
    • NSC 75465
    • F73640
    • 7651-50-5
    • 5,5-DIMETHYL-2-(1-METHYLETHYL)-1,3-DIOXANE
    • 1,3-Dioxane, 5,5-dimethyl-2-(1-methylethyl)-
    • NS00037804
    • DC458W5KSJ
    • AWSZUOKHFRWQFK-UHFFFAOYSA-N
    • DTXCID50149812
    • 5,5-Dimethyl-2-(1-methylethyl)-1,3-dioxane; 2-Isopropyl-5,5-dimethyl-1,3-dioxane;
    • Inchi: 1S/C9H18O2/c1-7(2)8-10-5-9(3,4)6-11-8/h7-8H,5-6H2,1-4H3
    • InChI Key: AWSZUOKHFRWQFK-UHFFFAOYSA-N
    • SMILES: O1C(C(C)C)OCC(C)(C)C1

Computed Properties

  • Exact Mass: 158.13074
  • Monoisotopic Mass: 158.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
  • LogP: 2.04150

5,5-dimethyl-2-isopropyl-1,3-dioxane Pricemore >>

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