Cas no 7154-71-4 (Diethyl 2-octadecylpropanedioate)
7154-71-4 structure
Product Name:Diethyl 2-octadecylpropanedioate
CAS No:7154-71-4
MF:C25H48O4
MW:412.646228790283
CID:1750499
PubChem ID:252260
Update Time:2025-04-21
Diethyl 2-octadecylpropanedioate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 2-octadecylpropanedioate
- NSC73734
- diethyl stearylmalonate
- AG-K-39667
- octadecyl-malonic acid diethyl ester
- Octadecyl-malonsaeure-diaethylester
- AC1L5LL2
- AC1Q63UP
- 2-Octadecylmalonic acid diethyl ester
- CTK2I0099
- AR-1I4766
- diethyl octadecylmalonate
- diethyl octadecylpropanedioate
- diethyl 2-octadecylmalonate
- diethyl 2-octadecylmalonate;octadecyl-malonic acid diethyl ester;diethyl octadecylmalonate;diethyl octadecylpropanedioate;diethyl stearylmalonate;2-Octadecylmalonic acid diethyl ester;Octadecyl-malonsaeure-diaethylester;
- NSC-73734
- 7154-71-4
- n-octadecyl-diethyl malonate
- SCHEMBL5849644
- NSC 73734
- DTXSID50291183
-
- Inchi： 1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(26)28-5-2)25(27)29-6-3/h23H,4-22H2,1-3H3
- InChI Key： KTJAWNZADNYGFD-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 412.35500
- Monoisotopic Mass: 412.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 23
- Complexity: 363
- 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: 10.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 7.38040
Diethyl 2-octadecylpropanedioate Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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