Cas no 62680-94-8 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-hexyl-2-methoxy-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-hexyl-2-methoxy- structure](https://ossimg.kuujia.com/scimg/63000/62680-94-8x500.png)
62680-94-8 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-hexyl-2-methoxy-
CAS No:62680-94-8
MF:C12H20O4
MW:228.284804344177
CID:435393
PubChem ID:21397287
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-hexyl-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-hexyl-2-methoxy-
- 4-hexyl-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- Methyl 2,3-anhydro-5-hexylpentopyranosid-4-ulose
- SCHEMBL11759834
- 62680-94-8
- DTXSID30612998
-
- Inchi： 1S/C12H20O4/c1-3-4-5-6-7-8-9(13)10-11(16-10)12(14-2)15-8/h8,10-12H,3-7H2,1-2H3
- InChI Key： IUCHKCADBOOSBB-UHFFFAOYSA-N
- SMILES： O1C2C(C(CCCCCC)OC(C12)OC)=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: 2.4
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-hexyl-2-methoxy- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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