Cas no 97862-07-2 (Cyclohexanepropanol, a,g,g-trimethyl-4-(1-methylethyl)-, acetate, trans- (9CI))
97862-07-2 structure
Product Name:Cyclohexanepropanol, a,g,g-trimethyl-4-(1-methylethyl)-, acetate, trans- (9CI)
CAS No:97862-07-2
MF:C17H32O2
MW:268.434785842896
CID:801409
PubChem ID:113422
Update Time:2025-04-19
Cyclohexanepropanol, a,g,g-trimethyl-4-(1-methylethyl)-, acetate, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanol, a,g,g-trimethyl-4-(1-methylethyl)-, acetate, trans- (9CI)
- [4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-yl] acetate
- trans-4-(isopropyl)-alpha,gamma,gamma-trimethylcyclohexylpropyl acetate
- 97862-07-2
- DTXSID90913615
- EINECS 308-050-8
- 4-methyl-4-[4-(propan-2-yl)cyclohexyl]pentan-2-yl acetate
- EINECS 308-049-2
- 97862-08-3
- Cyclohexanepropanol, alpha,gamma,gamma-trimethyl-4-(1-methylethyl)-, acetate, trans-
- DTXSID801149170
- NS00126562
-
- Inchi： 1S/C17H32O2/c1-12(2)15-7-9-16(10-8-15)17(5,6)11-13(3)19-14(4)18/h12-13,15-16H,7-11H2,1-6H3
- InChI Key： XCNNCSRLOKMMQZ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)CC(C)(C)C1CCC(C(C)C)CC1
Computed Properties
- Exact Mass: 268.240230259g/mol
- Monoisotopic Mass: 268.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 286
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.9
- Topological Polar Surface Area: 26.3?2
Cyclohexanepropanol, a,g,g-trimethyl-4-(1-methylethyl)-, acetate, trans- (9CI) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
97862-07-2 (Cyclohexanepropanol, a,g,g-trimethyl-4-(1-methylethyl)-, acetate, trans- (9CI)) Related Products
- 29066-34-0(menthyl acetate)
- 76-49-3(Bornyl acetate)
- 2623-23-6(Menthyl acetate)
- 5157-89-1((1S)-(+)-menthyl acetate)
- 32210-23-4(4-tert-Butylcyclohexyl 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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