Cas no 25276-80-6 (2,4-Tridecanedione)
2,4-Tridecanedione structure
Product Name:2,4-Tridecanedione
CAS No:25276-80-6
MF:C13H24O2
MW:212.328464508057
CID:1424840
PubChem ID:529776
Update Time:2025-04-20
2,4-Tridecanedione Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Tridecanedione
- tridecane-2,4-dione
- 2,4-Tridecadione
- SCHEMBL170019
- DTXSID90336188
- Decoylaceton
- QAXKYAIESKANJL-UHFFFAOYSA-N
- 25276-80-6
- DTXCID40287277
-
- Inchi： 1S/C13H24O2/c1-3-4-5-6-7-8-9-10-13(15)11-12(2)14/h3-11H2,1-2H3
- InChI Key： QAXKYAIESKANJL-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 212.17772
- Monoisotopic Mass: 212.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 185
- 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: 3.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Tridecanedione Related Literature
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
25276-80-6 (2,4-Tridecanedione) Related Products
- 502-49-8(Cyclooctanone)
- 502-72-7(Cyclopentadecanone)
- 112-12-9(2-Undecanone)
- 504-02-9(Cyclohexane-1,3-dione)
- 593-08-8(2-Tridecanone)
- 693-54-9(Decan-2-one)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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