Cas no 1217664-77-1 ((1R,2R,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile)
1217664-77-1 structure
Product Name:(1R,2R,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile
CAS No:1217664-77-1
MF:C11H19N
MW:165.27526307106
CID:1083199
PubChem ID:46737249
Update Time:2025-04-20
(1R,2R,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- (1R,2R,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile
- (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
- AKOS015838426
- AKOS006344568
- 1217664-77-1
- (1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexane-1-carbonitrile
-
- Inchi： 1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1
- InChI Key： AWVUYKHSNNYPOX-OUAUKWLOSA-N
- SMILES： N#C[C@@H]1C[C@H](C)CC[C@@H]1C(C)C
Computed Properties
- Exact Mass: 165.152
- Monoisotopic Mass: 165.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.8A^2
- XLogP3: 3.5
(1R,2R,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile Related Literature
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
1217664-77-1 ((1R,2R,5R)-2-Isopropyl-5-methylcyclohexanecarbonitrile) Related Products
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