Cas no 62309-29-9 ((1S,2R,5S)-2-Isopropyl-5-methylcyclohexanecarboxylic acid)
62309-29-9 structure
Product Name:(1S,2R,5S)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
CAS No:62309-29-9
MF:C11H20O2
MW:184.275303840637
CID:5014529
Update Time:2023-08-25
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (1S,2R,5S)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
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- Inchi： 1S/C11H20O2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9+,10-/m0/s1
- InChI Key： MNVSUVYRIVXDBK-AEJSXWLSSA-N
- SMILES： OC([C@H]1C[C@@H](C)CC[C@@H]1C(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 187
- XLogP3: 3.4
- Topological Polar Surface Area: 37.3
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexanecarboxylic acid Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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