Cas no 56196-55-5 (5,9,13-trimethyl-tetradecanoic acid methyl ester)
56196-55-5 structure
Product Name:5,9,13-trimethyl-tetradecanoic acid methyl ester
CAS No:56196-55-5
MF:C18H36O2
MW:284.477246284485
CID:2036943
PubChem ID:554056
Update Time:2025-04-21
5,9,13-trimethyl-tetradecanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5,9,13-trimethyl-tetradecanoic acid methyl ester
- 5,9,13-Trimethyl-tetradecansaeure-methylester
- Methyl 5,9,13-Trimethyltetradecanoat
- Methyl-5,9,13-trimethyltetradecanoat
- 5,9,13-Trimethyltetradecanoic acid methyl ester
- SCHEMBL17554347
- Tetradecanoic acid, 5,9,13-trimethyl-, methyl ester
- DB-306378
- Methyl 5,9,13-trimethyltetradecanoate
- 56196-55-5
-
- Inchi： 1S/C18H36O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(19)20-5/h15-17H,6-14H2,1-5H3
- InChI Key： AQNNXEGYWCKFCQ-UHFFFAOYSA-N
- SMILES： O(C)C(CCCC(C)CCCC(C)CCCC(C)C)=O
Computed Properties
- Exact Mass: 284.271530387Da
- Monoisotopic Mass: 284.271530387Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 26.3?2
5,9,13-trimethyl-tetradecanoic acid methyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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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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