Cas no 22328-93-4 (Malonic acid,allyl(1-methylbutyl)-, diethyl ester, (R)-(+)- (8CI))
22328-93-4 structure
Product Name:Malonic acid,allyl(1-methylbutyl)-, diethyl ester, (R)-(+)- (8CI)
CAS No:22328-93-4
MF:C15H26O4
MW:270.364545345306
CID:273324
PubChem ID:95451
Update Time:2025-04-19
Malonic acid,allyl(1-methylbutyl)-, diethyl ester, (R)-(+)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Malonic acid,allyl(1-methylbutyl)-, diethyl ester, (R)-(+)- (8CI)
- diethyl 2-pentan-2-yl-2-prop-2-enylpropanedioate
- Diethyl (1-methylbutyl)allylmalonate
- NSC-10825
- AKOS024337584
- NS00044574
- DIETHYL ALLYL-1-(METHYLBUTYL)MALONATE
- Propanedioicacid,2-(1-methylbutyl)-2-(2-propen-1-yl)-,1,3-diethylester
- EINECS 228-514-2
- 6285-59-2
- SCHEMBL11678264
- NSC 10825
- Malonic acid, allyl-1-methylbutyl-, diethyl ester
- Propanedioic acid, 2-(1-methylbutyl)-2-(2-propen-1-yl)-, 1,3-diethyl ester
- DTXSID20944977
- Diethyl (pentan-2-yl)(prop-2-en-1-yl)propanedioate
- 22328-93-4
- NSC10825
-
- Inchi： 1S/C15H26O4/c1-6-10-12(5)15(11-7-2,13(16)18-8-3)14(17)19-9-4/h7,12H,2,6,8-11H2,1,3-5H3
- InChI Key： VTRMVPBHEGUYBA-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC=C)C(C)CCC)=O
Computed Properties
- Exact Mass: 270.18318
- Monoisotopic Mass: 270.183109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 11
- Complexity: 291
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 4.2
Experimental Properties
- PSA: 52.6
Malonic acid,allyl(1-methylbutyl)-, diethyl ester, (R)-(+)- (8CI) Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
22328-93-4 (Malonic acid,allyl(1-methylbutyl)-, diethyl ester, (R)-(+)- (8CI)) Related Products
- 77-24-7(Diethyl ethyl(3-methylbutyl)malonate)
- 77-25-8(Diethyl diethylmalonate)
- 596-75-8(Diethyl dibutylmalonate)
- 2049-80-1(Diethyl allylmalonate)
- 6065-63-0(Dipropyl-malonic Acid Diethyl Ester)
- 3195-24-2(Diethyl Diallylmalonate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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