Cas no 62644-39-7 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(hexyloxy)-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(hexyloxy)- structure](https://ossimg.kuujia.com/scimg/63000/62644-39-7x500.png)
62644-39-7 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(hexyloxy)-
CAS No:62644-39-7
MF:C13H22O4
MW:242.311384677887
CID:436636
PubChem ID:21397340
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(hexyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(hexyloxy)-
- 4-ethyl-2-hexoxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- 62644-39-7
- DTXSID60613034
- SCHEMBL11762567
- Hexyl 2,3-anhydro-6,7-dideoxyheptopyranosid-4-ulose
-
- Inchi： 1S/C13H22O4/c1-3-5-6-7-8-15-13-12-11(17-12)10(14)9(4-2)16-13/h9,11-13H,3-8H2,1-2H3
- InChI Key： ZPENBSDUVNPGDF-UHFFFAOYSA-N
- SMILES： O1C2C(C(CC)OC(C12)OCCCCCC)=O
Computed Properties
- Exact Mass: 242.15186
- Monoisotopic Mass: 242.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 266
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(hexyloxy)- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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