2H-Pyran, 2-(9-decenyloxy)tetrahydro-
- Iupac Name：2-dec-9-enoxyoxane
- CAS No.: 67136-13-4
- Molecular Weight：240.38
- Modify Date.: 2022-11-03 23:43
1. Names and Identifiers
- 1.1 Name
- 2H-Pyran, 2-(9-decenyloxy)tetrahydro-
- 1.2 Synonyms
2-(9-Decenyloxy)tetrahydro-2H-pyran 2-dec-9-enoxyoxane CTK1J3854 DTXSID70471788
- 1.3 CAS No.
- 67136-13-4
- 1.4 CID
- 11746754
- 1.5 Molecular Formula
- C15H28O2 (isomer)
- 1.6 Inchi
- InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h2,15H,1,3-14H2
- 1.7 InChIkey
- UHHDVZVTDYIKML-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C=CCCCCCCCCOC1CCCCO1
- 1.9 Isomers Smiles
- C=CCCCCCCCCOC1CCCCO1
2. Properties
- 2.1 PSA
- 18.46000
- 2.1 logP
- 4.44630
3. Synthesis Route
67136-13-4Total: 7 Synthesis Route
5. Computational chemical data
- Molecular Weight: 240.38g/mol
- Molecular Formula: C15H28O2
- Compound Is Canonicalized: True
- XLogP3-AA: 4.9
- Exact Mass: 240.208930132
- Monoisotopic Mass: 240.208930132
- Complexity: 180
- 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: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAAAAAACACwgAMACAAABACAACBCAAAAAAAgAAAIAAAAAAgQAAIAAQAiAAAEgAAEAAGA4KgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Realated Product Infomation
skype
