Cas no 63649-25-2 (diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate)
63649-25-2 structure
Product Name:diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate
CAS No:63649-25-2
MF:C12H18O4
MW:226.268924236298
CID:960638
PubChem ID:929224
Update Time:2025-04-19
diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate
- diethyl 4-methylidenecyclopentane-1,2-dicarboxylate
- 1,2-Cyclopentanedicarboxylic acid,4-methylene-,diethyl ester,cis
- Diethyl 4-methylene-1,2-cyclopentanedicarboxylate
- Diethyl 4-methylenecyclopentane-1,2-dicarboxylate
- A834452
- trans-4-Methylene-1,2-cyclopentanedicarboxylic acid diethyl ester
- trans-(1SR,2SR)-4-methylene-cyclopentane-1,2-dicarboxylic acid diethyl ester
- 4-methylenecyclopentane-1,2-dicarboxylic acid diethyl ester
- SCHEMBL1029058
- racemic trans-4-Methylene-cyclopentane-1,2-dicarboxylic acid diethyl ester
- diethyl (1S,2S)-4-methylidenecyclopentane-1,2-dicarboxylate
- 63649-25-2
- Trans-Diethyl 4-methylene-1,2-cyclopentane dicarboxylate
- diethyl (1R,2R)-4-methylidenecyclopentane-1,2-dicarboxylate
- Trans-diethyl 4-methylenecyclopentane-1,2-dicarboxylate
- (1R,2R)-diethyl 4-methylenecyclopentane-1,2-dicarboxylate
-
- Inchi： 1S/C12H18O4/c1-4-15-11(13)9-6-8(3)7-10(9)12(14)16-5-2/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
- InChI Key： VRFHDEASKDWEHW-NXEZZACHSA-N
- SMILES： O(CC)C([C@@H]1CC(=C)C[C@H]1C(=O)OCC)=O
Computed Properties
- Exact Mass: 226.12100
- Monoisotopic Mass: 226.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 1.69500
diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate Security Information
- Safety Instruction： S24/25
- Safety Term：S24/25
diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
63649-25-2 (diethyl trans-4-methylene-1,2-cyclopentanedicarboxylate) Related Products
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