Cas no 62644-46-6 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-methoxy-4-octyl-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-methoxy-4-octyl- structure](https://ossimg.kuujia.com/scimg/63000/62644-46-6x500.png)
62644-46-6 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-methoxy-4-octyl-
CAS No:62644-46-6
MF:C14H24O4
MW:256.337965011597
CID:436629
PubChem ID:21397290
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-methoxy-4-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-methoxy-4-octyl-
- 2-methoxy-4-octyl-3,7-dioxabicyclo[4.1.0]heptan-5-one
- DTXSID90612999
- 62644-46-6
- SCHEMBL11759861
- Methyl 2,3-anhydro-5-octylpentopyranosid-4-ulose
-
- Inchi： 1S/C14H24O4/c1-3-4-5-6-7-8-9-10-11(15)12-13(18-12)14(16-2)17-10/h10,12-14H,3-9H2,1-2H3
- InChI Key： BYIAIFISPQYESO-UHFFFAOYSA-N
- SMILES： O1C2C(C(CCCCCCCC)OC(C12)OC)=O
Computed Properties
- Exact Mass: 256.16752
- Monoisotopic Mass: 256.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 279
- 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: 3.5
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-methoxy-4-octyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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