Cas no 2734-31-8 (Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3S,5S)-)

Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3S,5S)- structure
2734-31-8 structure
Product Name:Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3S,5S)-
CAS No:2734-31-8
MF:C11H20
MW:152.276503562927
CID:266414
PubChem ID:60024539
Update Time:2025-04-19

Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3S,5S)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3S,5S)-
    • 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol
    • ,3&#946
    • (1R-(1alpha,2beta,3beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-ol
    • (1R,2R,3S,5S)-(+)-Neoisopinocampheol
    • EINECS 220-353-6
    • (+)-Neoisopinocampheol
    • 2734-31-8
    • Inchi: 1S/C11H20/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
    • InChI Key: LKEUABCSWZLASW-AXTSPUMRSA-N
    • SMILES: [C@H]12[C@@H](C)[C@@H](C)C[C@H](C1)C2(C)C

Computed Properties

  • Exact Mass: 154.135765
  • 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: 0
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2
  • XLogP3: 4.1

Experimental Properties

  • Density: 0.96
  • Boiling Point: 217°Cat760mmHg
  • Flash Point: 84.4°C

Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3S,5S)- Related Literature

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