Cas no 95935-43-6 (Undecanoic acid, 1,1-dimethylethyl ester)
95935-43-6 structure
Product Name:Undecanoic acid, 1,1-dimethylethyl ester
CAS No:95935-43-6
MF:C15H30O2
MW:242.397505283356
CID:734827
PubChem ID:17958259
Update Time:2025-04-19
Undecanoic acid, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Undecanoic acid, 1,1-dimethylethyl ester
- tert-butyl undecanoate
- t-butyl undecanoate
- SCHEMBL7771101
- 95935-43-6
- DTXSID40591745
-
- Inchi： 1S/C15H30O2/c1-5-6-7-8-9-10-11-12-13-14(16)17-15(2,3)4/h5-13H2,1-4H3
- InChI Key： BEQGLZWFHGTCMB-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 242.224580195g/mol
- Monoisotopic Mass: 242.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 26.3?2
Undecanoic acid, 1,1-dimethylethyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
95935-43-6 (Undecanoic acid, 1,1-dimethylethyl ester) Related Products
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- 6938-94-9(diisopropyl adipate)
- 2311-46-8(N-Caproic Acid Isopropyl Ester)
- 7011-83-8(Dihydrojasmone lactone)
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