Cas no 827042-18-2 (Pentanedioic acid, 2,4-dimethyl-, dibutyl ester)
827042-18-2 structure
Product Name:Pentanedioic acid, 2,4-dimethyl-, dibutyl ester
CAS No:827042-18-2
MF:C15H28O4
MW:272.380425453186
CID:685891
PubChem ID:71417723
Update Time:2025-04-19
Pentanedioic acid, 2,4-dimethyl-, dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2,4-dimethyl-, dibutyl ester
- dibutyl 2,4-dimethylpentanedioate
- DTXSID80837058
- 827042-18-2
- SCHEMBL1557964
-
- Inchi： 1S/C15H28O4/c1-5-7-9-18-14(16)12(3)11-13(4)15(17)19-10-8-6-2/h12-13H,5-11H2,1-4H3
- InChI Key： JCQLHTNWWADZCY-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C(C)CC(C(=O)OCCCC)C)=O
Computed Properties
- Exact Mass: 272.19875937g/mol
- Monoisotopic Mass: 272.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 12
- Complexity: 237
- 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: 3.9
- Topological Polar Surface Area: 52.6?2
Pentanedioic acid, 2,4-dimethyl-, dibutyl ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
827042-18-2 (Pentanedioic acid, 2,4-dimethyl-, dibutyl ester) Related Products
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- 2050-01-3(Isoamyl Isobutyrate)
- 1341-38-4(6-Methylheptyl palmitate)
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- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 2163-48-6(Diethyl propylmalonate)
- 94-28-0(Tri(ethylenglycol)bis-2-ethylhexanoate)
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