Cas no 80004-03-1 ((S)-1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol)

(S)-1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol structure
80004-03-1 structure
Product Name:(S)-1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol
CAS No:80004-03-1
MF:C11H22O6
MW:250.288784503937
CID:984977
Update Time:2023-08-02

(S)-1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol Chemical and Physical Properties

Names and Identifiers

    • (S)-1,4,7,10,13-pentaoxacyclopentadecane-2-methanol
    • (S)-1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol
    • Inchi: 1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2/t11-/m0/s1
    • InChI Key: YHIQMMGCRYKJLB-NSHDSACASA-N
    • SMILES: O1CCOCCOCCOCCOC[C@@H]1CO

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 166
  • Topological Polar Surface Area: 66.4

Experimental Properties

  • Density: 1.043
  • Boiling Point: 401.1°Cat760mmHg
  • Flash Point: 196.4°C
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