Cas no 61621-49-6 (Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester)
61621-49-6 structure
Product Name:Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester
CAS No:61621-49-6
MF:C18H30O4
MW:310.428406238556
CID:472517
PubChem ID:71394059
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester
- ethyl 2-nonyl-4,6-dioxocyclohexane-1-carboxylate
- DTXSID70815789
- 61621-49-6
-
- Inchi： 1S/C18H30O4/c1-3-5-6-7-8-9-10-11-14-12-15(19)13-16(20)17(14)18(21)22-4-2/h14,17H,3-13H2,1-2H3
- InChI Key： HBTFLELDYFBBGX-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(CC(CC1CCCCCCCCC)=O)=O)=O
Computed Properties
- Exact Mass: 310.2145
- Monoisotopic Mass: 310.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 375
- 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: 5.2
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
61621-49-6 (Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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