Cas no 51446-60-7 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2S,5R)-)
51446-60-7 structure
Product Name:Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2S,5R)-
CAS No:51446-60-7
MF:C12H22O2
MW:198.301884174347
CID:380544
PubChem ID:44144627
Update Time:2025-04-19
Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2S,5R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2S,5R)-
- [(1S,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] acetate
- [1S-(1alpha,2beta,5beta)]-5-(isopropyl)-2-methylcyclohexyl acetate
- (1R,3R)-3-(1-methylethyl)cyclohexyl propanoate
- (1S-(1alpha,2beta,5beta))-5-(Isopropyl)-2-methylcyclohexyl acetate
- DTXSID40199427
- 51446-60-7
- EINECS 257-213-9
-
- Inchi： 1S/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1
- InChI Key： JAKFDYGDDRCJLY-WCQGTBRESA-N
- SMILES： O(C(C)=O)[C@H]1C[C@H](C(C)C)CC[C@@H]1C
Computed Properties
- Exact Mass: 198.161979940g/mol
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 199
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
- Topological Polar Surface Area: 26.3?2
Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2S,5R)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
51446-60-7 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2S,5R)-) Related Products
- 29066-34-0(menthyl acetate)
- 16409-46-4(2-Isopropyl-5-methylcyclohexyl 3-methylbutanoate)
- 76-49-3(Bornyl acetate)
- 77341-67-4(4-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-4-oxobutanoic acid)
- 2623-23-6(Menthyl acetate)
- 77-54-3((+)-cedryl acetate)
- 89-48-5((±)-Menthyl Acetate)
- 5726-19-2(2-Methylcyclohexyl Acetate)
- 125-12-2(isobornyl acetate)
- 88-41-5(2-Tert-Butylcyclohexyl acetate)
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