Cas no 167466-95-7 (2-Pentanone,4-methoxy-, (4R)-)
2-Pentanone,4-methoxy-, (4R)- structure
Product Name:2-Pentanone,4-methoxy-, (4R)-
CAS No:167466-95-7
MF:C6H12O2
MW:116.158282279968
CID:110943
PubChem ID:10749159
Update Time:2025-04-18
2-Pentanone,4-methoxy-, (4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,4-methoxy-, (4R)-
- 2-Pentanone, 4-methoxy-, (4R)- (9CI)
- SCHEMBL14454011
- (4R)-4-methoxypentan-2-one
- 167466-95-7
-
- Inchi： 1S/C6H12O2/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3/t6-/m1/s1
- InChI Key： BNEZGZQZWFYHTI-ZCFIWIBFSA-N
- SMILES： O(C)[C@H](C)CC(C)=O
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 78.6
- 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: 0.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Pentanone,4-methoxy-, (4R)- 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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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
167466-95-7 (2-Pentanone,4-methoxy-, (4R)-) Related Products
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