Cas no 74381-40-1 (Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester)

Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester structure
74381-40-1 structure
Product Name:Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester
CAS No:74381-40-1
MF:C16H30O4
MW:286.407005786896
CID:567803
PubChem ID:93439
Update Time:2025-04-19

Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester
    • 1,1-dimethyl-3-(3-nitrophenyl)urea
    • Propanoicacid,2-methyl-,
    • 1-[2-(Isobutyryloxy)-1-methylethyl]-2,2-dimethylpropyl 2-methylpropanoate
    • DTXSID50881220
    • Q27157598
    • 2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)
    • CHEBI:84228
    • [2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
    • SCHEMBL2170498
    • E77620
    • NS00100898
    • 2,4,4-trimethylpentan-1,3-diol-diisobutyrate
    • Bisisobutyric acid 2,4,4-trimethylpentane-1,3-diyl ester
    • Diisobutyric acid 1-tert-butyl-2-methyl-1,3-propanediyl ester
    • PROPANOICACID,2-METHYL-,1-(1,1-DIMETHYLETHYL)-2
    • Bisisobutyric acid 1-tert-butyl-2-methylpropane-1,3-diyl ester
    • Propanoic acid, 2-methyl-, 1,1'-[1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl] ester
    • Inchi： 1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3
    • InChI Key： PXNPSORLYYNBLA-UHFFFAOYSA-N
    • SMILES： O(C(C(C)C)=O)C(C(C)COC(C(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 286.21440943g/mol
  • Monoisotopic Mass: 286.21440943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 250
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 0.951±0.06 g/cm3(Predicted)
  • Boiling Point: 339.7±15.0 °C(Predicted)

Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester Pricemore >>

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Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester Related Literature

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