Cas no 191982-03-3 (Ethanone,1-[(2R,3R)-3-pentyl-2-oxiranyl]-)
![Ethanone,1-[(2R,3R)-3-pentyl-2-oxiranyl]- structure](https://ossimg.kuujia.com/scimg/192000/191982-03-3x500.png)
191982-03-3 structure
Product Name:Ethanone,1-[(2R,3R)-3-pentyl-2-oxiranyl]-
CAS No:191982-03-3
MF:C9H16O2
MW:156.222143173218
CID:116108
PubChem ID:11019116
Update Time:2025-04-18
Ethanone,1-[(2R,3R)-3-pentyl-2-oxiranyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[(2R,3R)-3-pentyl-2-oxiranyl]-
- Ethanone, 1-[(2R,3R)-3-pentyloxiranyl]- (9CI)
- 1-[(2R,3R)-3-PENTYLOXIRAN-2-YL]ETHANONE
- 191982-03-3
-
- Inchi： 1S/C9H16O2/c1-3-4-5-6-8-9(11-8)7(2)10/h8-9H,3-6H2,1-2H3/t8-,9+/m1/s1
- InChI Key： QSBATKPBRAWDHQ-BDAKNGLRSA-N
- SMILES： O1[C@@H](C(C)=O)[C@H]1CCCCC
Computed Properties
- Exact Mass: 156.11500
- 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: 5
- Complexity: 143
- 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: 2
- Topological Polar Surface Area: 29.6?2
Experimental Properties
- PSA: 29.60000
- LogP: 1.92310
Ethanone,1-[(2R,3R)-3-pentyl-2-oxiranyl]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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