Cas no 5143-30-6 (2-Propenoic acid,4-methylpentyl ester)

2-Propenoic acid,4-methylpentyl ester structure
5143-30-6 structure
Product Name:2-Propenoic acid,4-methylpentyl ester
CAS No:5143-30-6
MF:C9H16O2
MW:156.222143173218
CID:377212
PubChem ID:78823
Update Time:2025-04-19

2-Propenoic acid,4-methylpentyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,4-methylpentyl ester
    • 4-methylpentyl acrylate
    • 4-methylpentyl prop-2-enoate
    • Isohexyl acrylate
    • UN8Y9D5UX5
    • 2-Propenoic acid, 4-methylpentyl ester
    • BDMYQVMQTKUZNB-UHFFFAOYSA-N
    • NS00032274
    • 5143-30-6
    • EINECS 225-910-7
    • DTXSID70199410
    • SCHEMBL650621
    • UNII-UN8Y9D5UX5
    • Inchi: 1S/C9H16O2/c1-4-9(10)11-7-5-6-8(2)3/h4,8H,1,5-7H2,2-3H3
    • InChI Key: BDMYQVMQTKUZNB-UHFFFAOYSA-N
    • SMILES: O(C(C=C)=O)CCCC(C)C

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 128
  • 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: 3.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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