Cas no 1575-76-4 (Propanedioic acid,2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester)

Propanedioic acid,2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester structure
1575-76-4 structure
Product Name:Propanedioic acid,2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS No:1575-76-4
MF:C14H24O4
MW:256.337965011597
CID:226001
PubChem ID:278962
Update Time:2025-04-19

Propanedioic acid,2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
    • 2-butyl-2-ethoxycarbonylpenten-4-oic acid ethyl ester
    • allyl-butyl-malonic acid diethyl ester
    • Allyl-butyl-malonsaeure-diaethylester
    • diethyl 2-butyl-2-allyl-1,3-propanedioate
    • n-Butyl-allylmalonsaeure-diaethylester
    • DTXSID20935683
    • 1575-76-4
    • diethyl butyl(prop-2-en-1-yl)propanedioate
    • SCHEMBL9478485
    • NSC128928
    • NSC-128928
    • Inchi: 1S/C14H24O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h6H,2,5,7-11H2,1,3-4H3
    • InChI Key: RNITVRORKFRQAT-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)(CC=C)CCCC)=O

Computed Properties

  • Exact Mass: 256.16700
  • Monoisotopic Mass: 256.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 11
  • Complexity: 266
  • 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: 3.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 0.979
  • Boiling Point: 281.1°C at 760 mmHg
  • Flash Point: 123.4°C
  • Refractive Index: 1.448
  • PSA: 52.60000
  • LogP: 2.86530
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