Cas no 391928-92-0 (2H-Pyran-3(6H)-one, 2-[[(1R)-1-methylheptyl]oxy]-, (2S)-)
![2H-Pyran-3(6H)-one, 2-[[(1R)-1-methylheptyl]oxy]-, (2S)- structure](https://ossimg.kuujia.com/scimg/392000/391928-92-0x500.png)
391928-92-0 structure
Product Name:2H-Pyran-3(6H)-one, 2-[[(1R)-1-methylheptyl]oxy]-, (2S)-
CAS No:391928-92-0
MF:C13H22O3
MW:226.311984539032
CID:1502093
PubChem ID:11031562
Update Time:2025-04-21
2H-Pyran-3(6H)-one, 2-[[(1R)-1-methylheptyl]oxy]-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-3(6H)-one, 2-[[(1R)-1-methylheptyl]oxy]-, (2S)-
- 391928-92-0
- DTXSID90452635
-
- Inchi： 1S/C13H22O3/c1-3-4-5-6-8-11(2)16-13-12(14)9-7-10-15-13/h7,9,11,13H,3-6,8,10H2,1-2H3/t11-,13+/m1/s1
- InChI Key： PRISQCAUSGXPIL-YPMHNXCESA-N
- SMILES： O([C@H]1C(C=CCO1)=O)[C@H](C)CCCCCC
Computed Properties
- Exact Mass: 226.15696
- Monoisotopic Mass: 226.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2H-Pyran-3(6H)-one, 2-[[(1R)-1-methylheptyl]oxy]-, (2S)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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