Cas no 62644-38-6 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(pentyloxy)-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(pentyloxy)- structure](https://ossimg.kuujia.com/scimg/63000/62644-38-6x500.png)
62644-38-6 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(pentyloxy)-
CAS No:62644-38-6
MF:C12H20O4
MW:228.284804344177
CID:436637
PubChem ID:21397307
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(pentyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(pentyloxy)-
- 4-ethyl-2-pentoxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- DTXSID20613010
- SCHEMBL11758505
- Pentyl 2,3-anhydro-6,7-dideoxyheptopyranosid-4-ulose
- 62644-38-6
-
- Inchi： 1S/C12H20O4/c1-3-5-6-7-14-12-11-10(16-11)9(13)8(4-2)15-12/h8,10-12H,3-7H2,1-2H3
- InChI Key： KXLIECODKXETMQ-UHFFFAOYSA-N
- SMILES： O1C2C(C(CC)OC(C12)OCCCCC)=O
Computed Properties
- Exact Mass: 228.1362
- Monoisotopic Mass: 228.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 253
- 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: 2.2
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-ethyl-2-(pentyloxy)- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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