Cas no 87428-82-8 (Hexanoyl chloride, 2-methyl-, (2S)-)
87428-82-8 structure
Product Name:Hexanoyl chloride, 2-methyl-, (2S)-
CAS No:87428-82-8
MF:C7H13ClO
MW:148.630521535873
CID:656348
PubChem ID:40478981
Update Time:2025-04-19
Hexanoyl chloride, 2-methyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoyl chloride, 2-methyl-, (2S)-
- (2S)-2-Methylhexanoyl chloride
- DTXSID90654435
- SCHEMBL9163435
- (S)-2-methylhexanoyl chloride
- WKEBLSOTVYFYKY-LURJTMIESA-N
- 87428-82-8
-
- Inchi： 1S/C7H13ClO/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
- InChI Key： WKEBLSOTVYFYKY-LURJTMIESA-N
- SMILES： ClC([C@@H](C)CCCC)=O
Computed Properties
- Exact Mass: 148.0654927g/mol
- Monoisotopic Mass: 148.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 90.9
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Hexanoyl chloride, 2-methyl-, (2S)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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