Cas no 62957-69-1 (1-Pentanone, 1-(tetrahydro-2-furanyl)-)
62957-69-1 structure
Product Name:1-Pentanone, 1-(tetrahydro-2-furanyl)-
CAS No:62957-69-1
MF:C9H16O2
MW:156.222143173218
CID:1647864
PubChem ID:12312149
Update Time:2025-04-21
1-Pentanone, 1-(tetrahydro-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 1-(tetrahydro-2-furanyl)-
- 1-(oxolan-2-yl)pentan-1-one
- 62957-69-1
- AKOS014665874
- DTXSID60487373
- SCHEMBL6142686
-
- Inchi: 1S/C9H16O2/c1-2-3-5-8(10)9-6-4-7-11-9/h9H,2-7H2,1H3
- InChI Key: OMXUQAHCRSTYPG-UHFFFAOYSA-N
- SMILES: O1CCCC1C(CCCC)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1-Pentanone, 1-(tetrahydro-2-furanyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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