Cas no 7605-54-1 (methyl trans-2-methylcyclohexanecarboxylate)
7605-54-1 structure
Product Name:methyl trans-2-methylcyclohexanecarboxylate
methyl trans-2-methylcyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl trans-2-methylcyclohexanecarboxylate
- methyl (1R,2R)-2-methylcyclohexane-1-carboxylate
- AI3-33519
- Cyclohexanecarboxylic acid, 2-methyl-, methyl ester, trans-
- methyl (1R,2R)-2-methylcyclohexanecarboxylate
- DTXSID70226952
- EINECS 231-517-1
- SCHEMBL15866019
- 7605-54-1
- NS00037754
-
- Inchi： 1S/C9H16O2/c1-7-5-3-4-6-8(7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
- InChI Key： OKLPIZJSDADMHA-HTQZYQBOSA-N
- SMILES： O(C)C([C@@H]1CCCC[C@H]1C)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 143
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
methyl trans-2-methylcyclohexanecarboxylate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
7605-54-1 (methyl trans-2-methylcyclohexanecarboxylate) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 2177-77-7(Methyl 2-methylvalerate)
- 29412-62-2(dimethyl cubane-1,4-dicarboxylate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 711-01-3(1-Adamantanecarboxylic Acid Methyl Ester)
- 14352-61-5(Methylcyclohexaneacetate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 4630-80-2(Methyl cyclopentanecarboxylate)
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