Cas no 17699-05-7 (Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-)

Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)- structure
17699-05-7 structure
Product Name:Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-
CAS No:17699-05-7
MF:C15H24
MW:204.351064682007
CID:215262
PubChem ID:86608
Update Time:2025-04-19

Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-
    • 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
    • ALPHA-TRANS-BERGAMOTENE
    • alpha-bergamotene
    • Bergamotene
    • Bicyclo(3.1.1)hept-2-ene,2,6-dimethyl-6-(4-methyl-3-pentenyl)
    • Einecs 241-702-9
    • trans-2,6-Dimethyl-6-(4-methylpent-3-enyl)-bicyclo[3.1.1]hept-2-ene
    • NISTC17699057
    • α-Bergamotene
    • Bicyclo(3.1.1)hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
    • DTXSID90864411
    • 2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
    • .alpha.-Bergamotene
    • 2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene
    • .alpha.-trans-Bergamotene
    • 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)
    • NS00052721
    • 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo(3.1.1)hept-2-ene
    • 17699-05-7
    • 2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
    • 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
    • CHEBI:62755
    • Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
    • FT-0622209
    • C17088
    • 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene #
    • Q27132146
    • ALPHA-BERGAM0TENE
    • Inchi: 1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
    • InChI Key: YMBFCQPIMVLNIU-UHFFFAOYSA-N
    • SMILES: C1(C)(CC/C=C(\C)/C)C2C(C)=CCC1C2

Computed Properties

  • Exact Mass: 204.18800
  • Monoisotopic Mass: 204.188
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 304
  • 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
  • Topological Polar Surface Area: 0A^2
  • XLogP3: 4.8

Experimental Properties

  • Density: 0.881
  • Boiling Point: 259.5°Cat760mmHg
  • Flash Point: 100.6°C
  • Refractive Index: 1.49
  • PSA: 0.00000
  • LogP: 4.72520
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