Cas no 80403-57-2 (Diethyl dodecyl(methyl)propanedioate)
80403-57-2 structure
Product Name:Diethyl dodecyl(methyl)propanedioate
CAS No:80403-57-2
MF:C20H38O4
MW:342.513327121735
CID:2802717
PubChem ID:15573740
Update Time:2025-04-21
Diethyl dodecyl(methyl)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL10631549
- DTXCID80525403
- Diethyl dodecyl(methyl)propanedioate
- 80403-57-2
- diethyl dodecyl-methylmalonate
- 2-dodecyl-2-methyl-malonic acid diethyl ester
- DTXSID60574631
- VAHLBDJLPMEESQ-UHFFFAOYSA-N
-
- Inchi： 1S/C20H38O4/c1-5-8-9-10-11-12-13-14-15-16-17-20(4,18(21)23-6-2)19(22)24-7-3/h5-17H2,1-4H3
- InChI Key： VAHLBDJLPMEESQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 342.27700969Da
- Monoisotopic Mass: 342.27700969Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 321
- 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: 7.6
- Topological Polar Surface Area: 52.6?2
Diethyl dodecyl(methyl)propanedioate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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