Cas no 61127-97-7 (Oxacycloheptadecanedione)
Oxacycloheptadecanedione structure
Product Name:Oxacycloheptadecanedione
CAS No:61127-97-7
MF:C16H28O3
MW:268.391725540161
CID:491199
PubChem ID:71399155
Update Time:2025-04-19
Oxacycloheptadecanedione Chemical and Physical Properties
Names and Identifiers
-
- Oxacycloheptadecanedione
- oxacycloheptadecane-2,3-dione
- DTXSID10820534
- 1-OXACYCLOHEPTADECANE-2,3-DIONE
- 61127-97-7
-
- Inchi： 1S/C16H28O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-16(15)18/h1-14H2
- InChI Key： JWQSHVSXPYKYKY-UHFFFAOYSA-N
- SMILES： O1C(C(CCCCCCCCCCCCCC1)=O)=O
Computed Properties
- Exact Mass: 268.20394
- Monoisotopic Mass: 268.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Oxacycloheptadecanedione Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
61127-97-7 (Oxacycloheptadecanedione) Related Products
- 108-56-5(Diethyl 2-oxobutanedioate)
- 5753-96-8(Ethyl 2-oxohexanoate)
- 20577-61-1(Methyl 2,4-dioxopentanoate)
- 15933-07-0(Ethyl 2-oxobutanoate)
- 13192-04-6(Dimethyl 2-Ketoglutaconate)
- 13246-52-1(Ethyl 2,4-dioxohexanoate)
- 50461-74-0(Ethyl 2-Oxopentanoate)
- 615-79-2(ethyl 2,4-dioxopentanoate)
- 3952-66-7(Methyl 2-oxobutanoate)
- 5965-53-7(Diethyl 2-oxopentanedioate)
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