Cas no 54111-93-2 (Butanedioicacid, 2-(hexadecen-1-yl)-)
54111-93-2 structure
Product Name:Butanedioicacid, 2-(hexadecen-1-yl)-
CAS No:54111-93-2
MF:C20H36O4
MW:340.497447013855
CID:385225
PubChem ID:5780145
Update Time:2025-04-19
Butanedioicacid, 2-(hexadecen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioicacid, 2-(hexadecen-1-yl)-
- 2-hexadec-1-enylbutanedioic acid
- hexadecenylsuccinic acid
- 2-(hexadec-1-en-1-yl)butanedioic acid
- 2-[(1E)-hexadec-1-en-1-yl]butanedioic acid
- DTXSID101347090
- AKOS024332399
- NSC82349
- 2-[(1E)-1-Hexadecen-1-yl]succinic acid
- EINECS 258-980-2
- SCHEMBL246776
- Butanedioic acid, 2-[(1E)-1-hexadecenyl]-
- 2-[(E)-hexadec-1-enyl]butanedioic acid
- 2-[(1E)-1-hexadecenyl]succinic acid
- 90692-02-7
- Butanedioic acid, 1-hexadecenyl-
- 54111-93-2
-
- Inchi： 1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,23,24)/b16-15+
- InChI Key： AAHZZGHPCKJNNZ-FOCLMDBBSA-N
- SMILES： OC(C(CC(=O)O)/C=C/CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 340.26148
- Monoisotopic Mass: 340.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Butanedioicacid, 2-(hexadecen-1-yl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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
54111-93-2 (Butanedioicacid, 2-(hexadecen-1-yl)-) Related Products
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