Cas no 85622-00-0 (2-ethylpent-4-enoyl chloride)
2-ethylpent-4-enoyl chloride structure
Product Name:2-ethylpent-4-enoyl chloride
CAS No:85622-00-0
MF:C7H11ClO
MW:146.614641427994
CID:990770
PubChem ID:296514
Update Time:2025-04-20
2-ethylpent-4-enoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-ethylpent-4-enoyl chloride
- 4-Pentenoyl chloride, 2-ethyl-
- NSC-166698
- NSC166698
- DTXSID60304652
- 85622-00-0
-
- Inchi： 1S/C7H11ClO/c1-3-5-6(4-2)7(8)9/h3,6H,1,4-5H2,2H3
- InChI Key： OBOAVSGVVHBVIN-UHFFFAOYSA-N
- SMILES： ClC(C(CC=C)CC)=O
Computed Properties
- Exact Mass: 146.0498427g/mol
- Monoisotopic Mass: 146.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 17.1?2
2-ethylpent-4-enoyl chloride Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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