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2H-Pyran, 2-(decyloxy)tetrahydro- structure

2H-Pyran, 2-(decyloxy)tetrahydro-

 
1. Names and Identifiers
1.1 Name
2H-Pyran, 2-(decyloxy)tetrahydro-
1.2 Synonyms
2-(DECYLOXY)OXANE; 2-(Decyloxy)tetrahydro-2H-pyran; Decyl tetrahydro-2H-pyran-2-yl ether; n-Decanol tetrahydropyran ether;
1.3 CAS No.
110477-35-5
1.4 CID
559027
1.5 Molecular Formula
C15H30O2
1.6 Inchi
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h15H,2-14H2,1H3
1.7 InChkey
YUNZZPCZYOTBDM-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCCCCOC1CCCCO1
1.9 Isomers Smiles
CCCCCCCCCCOC1OCCCC1
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3. Synthesis Route
110477-35-5Total: 3 Synthesis Route
   
 
110-87-2
110-87-2 200 Suppliers
 
112-30-1
112-30-1 167 Suppliers
 
4. Precursor and Product
5. Computed Properties
  • Molecular Weight:242.398 g/mol
  • Molecular Formula:C15H30O2
  • Compound Is Canonicalized:True
  • Exact Mass:5.4
  • XLogP3-AA:242.224580195
  • Monoisotopic Mass:242.224580195
  • Complexity:159
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5
  • Heavy Atom Count::17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAAAAAACACwgAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAEAAAEAAGA4KgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Realated Product Infomation
 
 
 
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