Cas no 13474-59-4 (Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-)

Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)- structure
13474-59-4 structure
Product Name:Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
CAS No:13474-59-4
MF:C15H24
MW:204.351064682007
CID:208338
PubChem ID:6429302
Update Time:2025-04-19

Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
    • (1S,5S)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene
    • (E)-α-bergamotene,(-)-trans-α-bergamotene
    • (E)-α-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]- hept-2-ene ((E)-α-bergamotene)
    • (E)-α-Bergamotene
    • 2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
    • Bergamotene (α-trans)
    • trans--Bergamotene
    • trans-α-bergamottene
    • α-E-Bergamotene
    • α-trans-Bergamoptene
    • α-trans-Bergamotene
    • trans-α-Bergamotene
    • (-)-α-trans-Bergamotene
    • (1S,5S,6R)-2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
    • (1S,5S,6R)-6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]heptane
    • (-)-trans-alpha-bergamotene
    • bergamotene (Z,.alpha.,cis)
    • (1S,5S,6R)-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)-, trans-(-)
    • .ALPHA.BERGAMOTENE, TRANS-
    • FEMA NO. 4960
    • .alpha.-trans-Bergamotene
    • (E)-(-)-alpha-bergamotene
    • (-)-TRANS-.ALPHA.-BERGAMOTENE
    • .ALPHA.-BERGAMOTENE, (-)-TRANS-
    • (1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
    • Q27132147
    • UNII-599TK2712C
    • 17829-53-7
    • trans-.alpha.-Bergamotene
    • .ALPHA.-BERGAMOTENE, (E)-(-)-
    • (-)-EXO-.ALPHA.-BERGAMOTENE
    • (+/-)-trans-alpha-Bergamotene
    • alpha-Bergamotene, (E)-(-)-
    • (-)-exo-alpha-bergamotene
    • BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-, (1S-(1alpha,5alpha,6alpha))-
    • BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-, (1S-(1.ALPHA.,5.ALPHA.,6.ALPHA.))-
    • (-)-alphalpha-trans-Bergamotene
    • C20811
    • (1S,5S,6R)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene
    • alphaBERGAMOTENE, TRANS-
    • (E)-alpha-bergamotene
    • cis-.alpha.-Bergamotene
    • .alpha.-trans-.beta.-Bergamotene
    • exo-alpha-bergamotene
    • DTXCID301475754
    • BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTEN-1-YL)-, (1S,5S,6R)-
    • CHEBI:62756
    • 13474-59-4
    • DTXSID901017570
    • alpha-BERGAMOTENE, (-)-TRANS-
    • trans-alpha-Bergamotene
    • 599TK2712C
    • 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/t13-,14-,15+/m0/s1
    • InChI Key： YMBFCQPIMVLNIU-SOUVJXGZSA-N
    • SMILES： [C@@]1(C)(CC/C=C(\C)/C)[C@@H]2C(C)=CC[C@H]1C2

Computed Properties

  • Exact Mass: 204.18792
  • Monoisotopic Mass: 204.187800766g/mol
  • 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: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.881
  • Boiling Point: 259.5°Cat760mmHg
  • Flash Point: 100.6°C
  • Refractive Index: 1.489
  • PSA: 0

Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)- Related Literature

Related Categories

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