Cas no 2809-78-1 (1-ethynylcycloheptan-1-ol)

1-ethynylcycloheptan-1-ol structure
1-ethynylcycloheptan-1-ol structure
Product Name:1-ethynylcycloheptan-1-ol
CAS No:2809-78-1
MF:C9H14O
MW:138.206862926483
CID:281809
PubChem ID:137728
Update Time:2025-04-19

1-ethynylcycloheptan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 1-ETHYNYL-1-CYCLOHEPTANOL
    • 1-ethynylcycloheptan-1-ol
    • Cycloheptanol,1-ethynyl-
    • 1-Aethinyl-cycloheptanol
    • 1-ethynyl-1-cyloheptanol
    • 1-ethynylcycloheptanol
    • Cycloheptanol,1-ethynyl
    • 2809-78-1
    • AKOS005596071
    • NSC203188
    • FT-0634500
    • NSC-203188
    • CAA80978
    • F8883-8248
    • CS-0127716
    • DTXSID30182368
    • SCHEMBL237148
    • NSC 203188
    • 1-(1-ETHYNYL)-1-CYCLOHEPTANOL
    • Inchi: 1S/C9H14O/c1-2-9(10)7-5-3-4-6-8-9/h1,10H,3-8H2
    • InChI Key: QKJJSXGDSZZUKI-UHFFFAOYSA-N
    • SMILES: OC1(C#C)CCCCCC1

Computed Properties

  • Exact Mass: 138.10400
  • Monoisotopic Mass: 138.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 143
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.97
  • Boiling Point: 203.6°Cat760mmHg
  • Flash Point: 84.4°C
  • Refractive Index: 1.491
  • PSA: 20.23000
  • LogP: 1.70490

1-ethynylcycloheptan-1-ol Pricemore >>

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1-ethynylcycloheptan-1-ol Related Literature

  • 1. 391. Studies in the polyene series. Part XXX. The synthesis of cyclopentenyl and cycloheptenyl analogues of β-ionone
    Ian Heilbron,E. R. H. Jones,J. B. Toogood,B. C. L. Weedon J. Chem. Soc. 1949 1827
  • 2. Simple analogues of cortisone. Part III. Some monocyclic compounds
    J. D. Billimoria,N. F. Maclagan J. Chem. Soc. 1954 3257
  • 3. 366. trans-cycloHeptane-1 : 2-dicarboxylic acid and its conversion into trans-bicyclo[5 : 3 : 0]decan-9-one
    D. C. Ayres,R. A. Raphael J. Chem. Soc. 1958 1779
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