Cas no 102368-23-0 (Ethanone,1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI))
![Ethanone,1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI) structure](https://ossimg.kuujia.com/scimg/102500/102368-23-0x500.png)
102368-23-0 structure
Product Name:Ethanone,1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI)
CAS No:102368-23-0
MF:C9H16O2
MW:156.222143173218
CID:125045
PubChem ID:11788431
Update Time:2025-04-18
Ethanone,1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI)
- 1-[(2R,3S)-3-pentyloxiran-2-yl]ethanone
- 102368-23-0
- Ethanone, 1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI)
-
- Inchi： 1S/C9H16O2/c1-3-4-5-6-8-9(11-8)7(2)10/h8-9H,3-6H2,1-2H3/t8-,9-/m0/s1
- InChI Key： QSBATKPBRAWDHQ-IUCAKERBSA-N
- SMILES： O1[C@@H](C(C)=O)[C@@H]1CCCCC
Computed Properties
- Exact Mass: 156.115029749g/mol
- 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
Ethanone,1-[(2R,3S)-3-pentyloxiranyl]-, rel- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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