Cas no 62644-33-1 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-butoxy-4-methyl-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-butoxy-4-methyl- structure](https://ossimg.kuujia.com/scimg/63000/62644-33-1x500.png)
62644-33-1 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-butoxy-4-methyl-
CAS No:62644-33-1
MF:C10H16O4
MW:200.231643676758
CID:436642
PubChem ID:21397321
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-butoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-butoxy-4-methyl-
- 2-butoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-one
- 62644-33-1
- SCHEMBL11758153
- Butyl 2,3-anhydro-6-deoxyhexopyranosid-4-ulose
- DTXSID30613021
-
- Inchi： 1S/C10H16O4/c1-3-4-5-12-10-9-8(14-9)7(11)6(2)13-10/h6,8-10H,3-5H2,1-2H3
- InChI Key： RHKBDXALMKTDRQ-UHFFFAOYSA-N
- SMILES： O1C2C(C(C)OC(C12)OCCCC)=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: 4
- Complexity: 228
- 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: 1.1
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-butoxy-4-methyl- Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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