Cas no 84812-66-8 (ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate)
84812-66-8 structure
Product Name:ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate
CAS No:84812-66-8
MF:C14H24O3
MW:240.338564872742
CID:888181
PubChem ID:21149610
Update Time:2025-04-19
ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate
- ethyl 2-[2-(2-methylpropanoyl)cyclohexyl]acetate
- EINECS 284-209-4
- NS00061502
- 84812-66-8
- Ethyl [2-(2-methylpropanoyl)cyclohexyl]acetate
- DTXSID401005104
-
- Inchi： 1S/C14H24O3/c1-4-17-13(15)9-11-7-5-6-8-12(11)14(16)10(2)3/h10-12H,4-9H2,1-3H3
- InChI Key： UOHCVAKXGKIYPN-UHFFFAOYSA-N
- SMILES： O=C(C(C)C)C1CCCCC1CC(=O)OCC
Computed Properties
- Exact Mass: 240.17254462g/mol
- Monoisotopic Mass: 240.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 43.4?2
ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
84812-66-8 (ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate) Related Products
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 13148-83-9(Methyl 3-oxocyclohexanecarboxylate)
- 2832-10-2(Ethyl 4-acetyl-5-oxohexanoate)
- 17351-22-3(Diethyl trans-1,2-Cyclohexanedicarboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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