Cas no 23427-68-1 (1,2-Cyclotetradecanedione)
1,2-Cyclotetradecanedione structure
Product Name:1,2-Cyclotetradecanedione
CAS No:23427-68-1
MF:C14H24O2
MW:224.339164733887
CID:1419127
PubChem ID:14547747
Update Time:2025-04-20
1,2-Cyclotetradecanedione Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclotetradecanedione
- cyclotetradecane-1,2-dione
- cyclotetradecane-1,2-quinone
- 23427-68-1
- SCHEMBL7178525
- DTXSID00561520
-
- Inchi： 1S/C14H24O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(13)16/h1-12H2
- InChI Key： MXTFEOYSFWGYJD-UHFFFAOYSA-N
- SMILES： O=C1C(CCCCCCCCCCCC1)=O
Computed Properties
- Exact Mass: 224.17772
- Monoisotopic Mass: 224.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 197
- 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: 4.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,2-Cyclotetradecanedione Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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