Cas no 62644-37-5 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(1-methylethoxy)-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(1-methylethoxy)- structure](https://ossimg.kuujia.com/scimg/63000/62644-37-5x500.png)
62644-37-5 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(1-methylethoxy)-
CAS No:62644-37-5
MF:C10H16O4
MW:200.231643676758
CID:436638
PubChem ID:21397301
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(1-methylethoxy)-
- 4-ethyl-2-propan-2-yloxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- 62644-37-5
- Propan-2-yl 2,3-anhydro-6,7-dideoxyheptopyranosid-4-ulose
- DTXSID90613007
- SCHEMBL11757569
-
- Inchi： 1S/C10H16O4/c1-4-6-7(11)8-9(14-8)10(13-6)12-5(2)3/h5-6,8-10H,4H2,1-3H3
- InChI Key： NGRZZJNAJUAHJL-UHFFFAOYSA-N
- SMILES： O1C2C(C(CC)OC(C12)OC(C)C)=O
Computed Properties
- Exact Mass: 200.10488
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 238
- 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: 1.2
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(1-methylethoxy)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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