Cas no 5832-70-2 (Pentanedioic acid,2-cyano-3-methyl-, 1,5-diethyl ester)
5832-70-2 structure
Product Name:Pentanedioic acid,2-cyano-3-methyl-, 1,5-diethyl ester
Pentanedioic acid,2-cyano-3-methyl-, 1,5-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid,2-cyano-3-methyl-, 1,5-diethyl ester
- diethyl 2-cyano-3-methylpentanedioate
- diethyl 2-cyano-3-methyl-pentanedioate
- 2-Cyan-3-methyl-glutarsaeure-diaethylester
- 2-Cyan-3-methyl-glutarsaeure-diethylester
- 2-cyano-3-methyl-glutaric acid diethyl ester
- 3-Methyl-2-cyan-glutarsaeure-diethylester
- AC1L5JE1
- AC1Q6506
- AR-1I4442
- CTK5A8163
- cyano-2 methyl-3 glutarate d'ethyle
- Diethyl-1-cyano-2-methylglutarat
- NCIOpen2_003472
- NSC166633
- NSC71509
- NSC-71509
- NSC-166633
- 5832-70-2
- DTXSID20290860
- SCHEMBL9311847
-
- Inchi： 1S/C11H17NO4/c1-4-15-10(13)6-8(3)9(7-12)11(14)16-5-2/h8-9H,4-6H2,1-3H3
- InChI Key： MJBWBQHWBRDLIR-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)C(C)CC(=O)OCC)=O
Computed Properties
- Exact Mass: 227.11581
- Monoisotopic Mass: 227.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 292
- 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: 1.4
- Topological Polar Surface Area: 76.4?2
Experimental Properties
- PSA: 76.39
- LogP: 1.27858
Pentanedioic acid,2-cyano-3-methyl-, 1,5-diethyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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