Cas no 155189-69-8 (2-Pentanone, 4-ethoxy-,(S)- (9CI))
155189-69-8 structure
Product Name:2-Pentanone, 4-ethoxy-,(S)- (9CI)
CAS No:155189-69-8
MF:C7H14O2
MW:130.184862613678
CID:106889
PubChem ID:13264740
Update Time:2025-04-18
2-Pentanone, 4-ethoxy-,(S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 4-ethoxy-,(S)- (9CI)
- (4S)-4-ETHOXYPENTAN-2-ONE
- 155189-69-8
- 2-Pentanone, 4-ethoxy-, (S)- (9CI)
- SCHEMBL16994943
-
- Inchi： 1S/C7H14O2/c1-4-9-7(3)5-6(2)8/h7H,4-5H2,1-3H3/t7-/m0/s1
- InChI Key： BMHLYNKQNZQHKZ-ZETCQYMHSA-N
- SMILES： O(CC)[C@@H](C)CC(C)=O
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 88.9
- 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: 0.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Pentanone, 4-ethoxy-,(S)- (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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