Cas no 74499-59-5 (Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)-)

Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)- structure
74499-59-5 structure
Product Name:Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)-
CAS No:74499-59-5
MF:C15H24O
MW:220.350464820862
CID:563952
PubChem ID:121494097
Update Time:2025-04-19

Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)-
    • 4,7,7-trimethyl-4-(3-methyl-2-butenyl)bicyclo[4.1.0]heptan-3-one
    • 4,7,7-trimethyl-4-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one
    • 3,7,7-Trimethyl-3-(3-methyl-2-butenyl)bicyclo(4.1.0)heptan-4-one
    • 4,7,7-Trimethyl-4-(3-methyl-2-butenyl)bicyclo(4.1.0)heptan-3-one
    • 4,7,7-trimethyl-4-(3-methylbut-2-en-1-yl)bicyclo[4.1.0]heptan-3-one
    • Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)-
    • Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-4-(3-methyl-2-butenyl)-
    • EINECS 277-896-7
    • 74499-59-5
    • 1K800F5WU3
    • 4,7,7-Trimethyl-4-(3-methyl-2-buten-1-yl)bicyclo(4.1.0)heptan-3-one
    • Q27252534
    • UNII-1K800F5WU3
    • Inchi: 1S/C15H24O/c1-10(2)6-7-15(5)9-12-11(8-13(15)16)14(12,3)4/h6,11-12H,7-9H2,1-5H3/t11-,12+,15?/m1/s1
    • InChI Key: FWQHAOBZTWZRCE-ZVORSSOTSA-N
    • SMILES: O=C1C(C)(C/C=C(\C)/C)C[C@H]2[C@@H](C1)C2(C)C

Computed Properties

  • Exact Mass: 220.183
  • Monoisotopic Mass: 220.183
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 346
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 0.921
  • Boiling Point: 282.3°C at 760 mmHg
  • Flash Point: 112.3°C
  • Refractive Index: 1.476

Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-4-(3-methyl-2-buten-1-yl)- Related Literature

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