Cas no 15358-92-6 (Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2S,5R)-rel-)

Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2S,5R)-rel- structure
15358-92-6 structure
Product Name:Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2S,5R)-rel-
CAS No:15358-92-6
MF:C10H18O
MW:154.249323368073
CID:180550
PubChem ID:117419
Update Time:2025-04-19

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

Names and Identifiers

    • Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2S,5R)-rel-
    • (1alpha,2beta,5alpha)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
    • (1R,2S,5R)-cis-myrtanol
    • [(1S,4R,5S)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methanol
    • (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol
    • BICYCLO(3.1.1)HEPTANE-2-METHANOL, 6,6-DIMETHYL-, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-
    • UNII-5GUL9KW53X
    • (+/-)-CIS-MYRTANOL
    • cis-Myrtenol
    • Myrtanol, cis-(-)-
    • BICYCLO(3.1.1)HEPTANE-2-METHANOL, 6,6-DIMETHYL-, (1R,2S,5R)-REL-
    • 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-/m1/s1
    • 9C2LHW9ZQJ
    • UNII-9C2LHW9ZQJ
    • 15358-92-6
    • EINECS 207-459-8
    • SCHEMBL8991537
    • (1R-(1alpha,2beta,5alpha))-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol
    • AI 3-36272
    • Q67879799
    • 5GUL9KW53X
    • Myrtanol, cis-
    • cis-Myrtanol
    • [(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
    • AI3-36272
    • EINECS 239-396-7
    • Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1.alpha.,2.beta.,5.alpha.)]-
    • MYRTANOL, (R)-CIS-
    • LDWAIHWGMRVEFR-IWSPIJDZSA-
    • 473-01-8
    • (1R,2S,5R)-6,6-DIMETHYLBICYCLO(3.1.1)HEPTANE-2-METHANOL
    • Bicyclo(3.1.1)heptane-2-methanol, 6,6-dimethyl-, cis-
    • REL-(1R,2S,5R)-6,6-DIMETHYLBICYCLO(3.1.1)HEPTANE-2-METHANOL
    • (R)-CIS-MYRTANOL
    • 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-/m1/s1
    • InChI Key： LDWAIHWGMRVEFR-IWSPIJDZSA-N
    • SMILES： OC[C@H]1CC[C@@H]2C[C@H]1C2(C)C

Computed Properties

  • Exact Mass: 154.13584
  • Monoisotopic Mass: 154.136
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.95
  • Boiling Point: 219.5°Cat760mmHg
  • Flash Point: 96°C
  • Refractive Index: 1.477
  • PSA: 20.23
  • LogP: 2.05100

Bicyclo[3.1.1]heptane-2-methanol,6,6-dimethyl-, (1R,2S,5R)-rel- Related Literature

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