Cas no 91-54-3 (Cyclohexanol,2-(1-methylpropyl)-, 1-acetate)
91-54-3 structure
Product Name:Cyclohexanol,2-(1-methylpropyl)-, 1-acetate
Cyclohexanol,2-(1-methylpropyl)-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,2-(1-methylpropyl)-, 1-acetate
- (2-butan-2-ylcyclohexyl) acetate
- 1-Acetoxy-2-sec-butylcyclohexane
- NSC-21145
- 2-sec-Butylcyclohexanol, acetate
- NSC-53049
- 91-54-3
- DTXSID70281288
- NSC53049
- NSC21145
-
- Inchi： 1S/C12H22O2/c1-4-9(2)11-7-5-6-8-12(11)14-10(3)13/h9,11-12H,4-8H2,1-3H3
- InChI Key： RVFASPCXUXXXDL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CCCCC1C(C)CC
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: 4
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 26.3?2
Cyclohexanol,2-(1-methylpropyl)-, 1-acetate Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
91-54-3 (Cyclohexanol,2-(1-methylpropyl)-, 1-acetate) 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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