Cas no 160193-85-1 (2-Pentanone,3-ethyl-3-(hydroxymethyl)-)
160193-85-1 structure
Product Name:2-Pentanone,3-ethyl-3-(hydroxymethyl)-
CAS No:160193-85-1
MF:C8H16O2
MW:144.211442947388
CID:109439
PubChem ID:10464447
Update Time:2025-04-18
2-Pentanone,3-ethyl-3-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,3-ethyl-3-(hydroxymethyl)-
- 2-Pentanone, 3-ethyl-3-(hydroxymethyl)- (9CI)
- 160193-85-1
- 3-ethyl-3-(hydroxymethyl)pentan-2-one
-
- Inchi： 1S/C8H16O2/c1-4-8(5-2,6-9)7(3)10/h9H,4-6H2,1-3H3
- InChI Key： OFWALKINJXCRQV-UHFFFAOYSA-N
- SMILES： OCC(C(C)=O)(CC)CC
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Pentanone,3-ethyl-3-(hydroxymethyl)- Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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