Cas no 83783-86-2 (2-Butenoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester, (2E)-)

2-Butenoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester, (2E)- structure
83783-86-2 structure
Product Name:2-Butenoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester, (2E)-
CAS No:83783-86-2
MF:C10H16O2
MW:168.232843399048
CID:726580
PubChem ID:6365867
Update Time:2025-04-19

2-Butenoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester, (2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester, (2E)-
    • 3-methyl-2-butenyl 2-methylcrotonate
    • WTDWXMWAIMIKSI-WEVVVXLNSA-N
    • DTXSID301243945
    • SCHEMBL873418
    • EINECS 280-821-0
    • 83783-86-2
    • Butenyl tiglate, 3-methyl-2-
    • 3-Methyl-2-buten-1-yl (2E)-2-methyl-2-butenoate
    • 3-methylbut-2-enyl (E)-2-methylbut-2-enoate
    • NS00060294
    • Inchi: 1S/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5-6H,7H2,1-4H3/b9-5+
    • InChI Key: WTDWXMWAIMIKSI-WEVVVXLNSA-N
    • SMILES: O(C(/C(=C/C)/C)=O)C/C=C(\C)/C

Computed Properties

  • Exact Mass: 168.115029749g/mol
  • Monoisotopic Mass: 168.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3?2
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