Cas no 114801-87-5 (Octadecanoic acid, butoxy-)
Octadecanoic acid, butoxy- structure
Product Name:Octadecanoic acid, butoxy-
CAS No:114801-87-5
MF:C22H44O3
MW:356.582967758179
CID:2613349
Update Time:2023-08-07
Octadecanoic acid, butoxy- Chemical and Physical Properties
Names and Identifiers
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- 2-butoxyoctadecanoic acid
- Octadecanoic acid, butoxy-
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- Inchi： 1S/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22(23)24)25-20-6-4-2/h21H,3-20H2,1-2H3,(H,23,24)
- InChI Key： DJAKYLOHLKALEL-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C(=O)O)CCCCCCCCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 20
- Complexity: 278
- Topological Polar Surface Area: 46.5
Octadecanoic acid, butoxy- Related Literature
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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