Cas no 1820-09-3 ((1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol)

(1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol structure
1820-09-3 structure
Product Name:(1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
CAS No:1820-09-3
MF:C10H16O
MW:152.233443260193
CID:906998
PubChem ID:88298
Update Time:2025-04-19

(1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol Chemical and Physical Properties

Names and Identifiers

    • (1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • TRANS-VERBENOL
    • (-)-trans-Verbenol
    • (1α,2α,5α)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • (E)-Verbenol
    • 19890-02-9
    • 1820-09-3
    • Verbenol, (S)-trans-
    • (S)-(-)-TRANS-VERBENOL
    • UNII-R7N6NH1O0K
    • Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-
    • BICYCLO(3.1.1)HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, (1S-(1.ALPHA.,2.ALPHA.,5.ALPHA.))-
    • NS00126390
    • AKOS006272684
    • (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol
    • Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)-
    • (1S,4R,5S)-(-)-TRANS-VERBENOL
    • (S)-trans-verbenol
    • 2-Pinen-4-ol, trans-
    • DTXSID10885103
    • (1S)-(+)-Cis-verbenol
    • WONIGEXYPVIKFS-DJLDLDEBSA-N
    • Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-
    • R7N6NH1O0K
    • (1S,2R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • (1S)-TRANS-VERBENOL
    • AI3-23135
    • Q27287910
    • NS00067072
    • 2-PINEN-4-OL, (1S,4R,5S)-(-)-
    • [1S-(1alpha,2alpha,5alpha)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-
    • EINECS 243-407-0
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol #
    • SCHEMBL19951524
    • UNII-3GPQ3N9L8Q
    • VERBENOL, TRANS-
    • VERBENOL, R-(+)-TRANS-
    • DTXSID60883755
    • Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-
    • (+)-trans-verbenol
    • AI3-23133
    • SCHEMBL1065045
    • (1R-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol
    • (1alpha,2alpha,5alpha)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol
    • BICYCLO(3.1.1)HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, (1R,2S,5R)-
    • (1R)-TRANS-VERBENOL
    • UNII-5E8197JSI1
    • NSC 6833
    • 3GPQ3N9L8Q
    • EINECS 244-920-2
    • 4,6,6-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-
    • (1r,2s,5r)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-
    • TRANS-VERBENOL, (+/-)-
    • 5E8197JSI1
    • NSC-6833
    • Verbenol, (+/-)-trans-
    • A816390
    • [1R-(1alpha,2alpha,5alpha)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • 22339-08-8
    • Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(+)-
    • Verbenol, (R)-trans-
    • EINECS 217-335-5
    • (1R,2S,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enol
    • 2-PINEN-4-OL, TRANS-(+)-
    • (+/-)-TRANS-VERBENOL
    • Inchi： 1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1
    • InChI Key： WONIGEXYPVIKFS-DJLDLDEBSA-N
    • SMILES： O[C@@H]1C=C(C)[C@@H]2C[C@H]1C2(C)C

Computed Properties

  • Exact Mass: 152.120115130g/mol
  • Monoisotopic Mass: 152.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 215
  • 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: 1.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.9657
  • Melting Point: 24°C
  • Boiling Point: 234.73°C (rough estimate)
  • Refractive Index: 1.4908 (estimate)

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