Cas no 646038-36-0 (2-Propanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-)
![2-Propanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl- structure](https://ossimg.kuujia.com/scimg/646500/646038-36-0x500.png)
646038-36-0 structure
Product Name:2-Propanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-
CAS No:646038-36-0
MF:C11H18O3
MW:198.258823871613
CID:422290
PubChem ID:71379560
Update Time:2025-04-19
2-Propanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl-
- 1-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]propan-2-one
- 646038-36-0
- DTXSID70802119
-
- Inchi： 1S/C11H18O3/c1-9(12)7-10-3-2-4-11(8-10)13-5-6-14-11/h10H,2-8H2,1H3/t10-/m1/s1
- InChI Key： AXBVIBMBBWSFND-SNVBAGLBSA-N
- SMILES： O1CCOC21CCC[C@H](CC(C)=O)C2
Computed Properties
- Exact Mass: 198.12564
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Propanone, 1-(7R)-1,4-dioxaspiro[4.5]dec-7-yl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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