Cas no 15358-91-5 (Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2R,5R)-rel-)

Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2R,5R)-rel- structure
15358-91-5 structure
Product Name:Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2R,5R)-rel-
CAS No:15358-91-5
MF:C10H18O
MW:154.249323368073
CID:198620
PubChem ID:84880
Update Time:2025-04-19

Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2R,5R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2R,5R)-rel-
    • (1α,2α,5α)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
    • (1alpha,2alpha,5alpha)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
    • Einecs 239-395-1
    • (1β,5β)-7,7-Dimethylbicyclo[3.1.1]heptane-2α-methanol
    • (1R,1α,5α)-6,6-Dimethylbicyclo[3.1.1]heptane-2α-methanol
    • (+)-trans-Myrtanol
    • (R)-trans-Myrtanol
    • BICYCLO(3.1.1)HEPTANE-2-METHANOL, 6,6-DIMETHYL-, (1R,2R,5R)-REL-
    • LDWAIHWGMRVEFR-DJLDLDEBSA-N
    • UNII-DK224H8AJN
    • ((1R,2R,5R)-6,6-Dimethylbicyclo(3.1.1)heptan-2-yl)methanol
    • Myrtanol, trans-
    • DK224H8AJN
    • Myrtanol, (R)-trans
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanol, [1S-(1.alpha.,2.alpha.,5.alpha.)]-
    • Bicyclo(3.1.1)heptane-2-methanol, 6,6-dimethyl-, (1R,2R,5R)-
    • (+)-trans-Myrtanol, analytical standard
    • [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
    • InChI=1/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
    • YHK8Y852SC
    • ((1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol
    • DTXSID901317239
    • (1alpha,2alpha,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol
    • LDWAIHWGMRVEFR-DJLDLDEBSA-
    • Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1.alpha.,2.alpha.,5.alpha.)]-
    • 132203-71-5
    • SCHEMBL2466197
    • UNII-YHK8Y852SC
    • 15358-91-5
    • J-006142
    • Inchi： 1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
    • InChI Key： LDWAIHWGMRVEFR-DJLDLDEBSA-N
    • SMILES： OC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C

Computed Properties

  • Exact Mass: 154.13584
  • Monoisotopic Mass: 154.135765
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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
  • Topological Polar Surface Area: 20.2
  • XLogP3: 2.5

Experimental Properties

  • Density: 0.95
  • Boiling Point: 219.5°Cat760mmHg
  • Flash Point: 96°C
  • Refractive Index: 1.478
  • PSA: 20.23

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