Cas no 89290-61-9 (Pentanedioic acid, 3-oxo-, dioctadecyl ester)
89290-61-9 structure
Product Name:Pentanedioic acid, 3-oxo-, dioctadecyl ester
CAS No:89290-61-9
MF:C41H78O5
MW:651.055034160614
CID:605322
PubChem ID:13531342
Update Time:2025-04-19
Pentanedioic acid, 3-oxo-, dioctadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-oxo-, dioctadecyl ester
- dioctadecyl 3-oxopentanedioate
- DTXSID90543113
- 89290-61-9
-
- Inchi： 1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-40(43)37-39(42)38-41(44)46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
- InChI Key： KWGKQEPXZRAJND-UHFFFAOYSA-N
- SMILES： O(C(CC(CC(=O)OCCCCCCCCCCCCCCCCCC)=O)=O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 650.58492558g/mol
- Monoisotopic Mass: 650.58492558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 46
- Rotatable Bond Count: 40
- Complexity: 607
- 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: 17.7
- Topological Polar Surface Area: 69.7?2
Pentanedioic acid, 3-oxo-, dioctadecyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
89290-61-9 (Pentanedioic acid, 3-oxo-, dioctadecyl ester) Related Products
- 2052-15-5(Butyl 4-oxopentanoate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 13984-57-1(Ethyl 5-oxohexanoate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 539-88-8(Ethyl levulinate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
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