Cas no 61136-78-5 (12,13-Tetracosanedione)
12,13-Tetracosanedione structure
Product Name:12,13-Tetracosanedione
CAS No:61136-78-5
MF:C24H46O2
MW:366.620848178864
CID:491014
PubChem ID:12585775
Update Time:2025-04-19
12,13-Tetracosanedione Chemical and Physical Properties
Names and Identifiers
-
- 12,13-Tetracosanedione
- tetracosane-12,13-dione
- 61136-78-5
- DTXSID70503432
- SCHEMBL2566019
- bis-dodecanoyl
-
- Inchi： 1S/C24H46O2/c1-3-5-7-9-11-13-15-17-19-21-23(25)24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
- InChI Key： LHYVMIYUMQXUCT-UHFFFAOYSA-N
- SMILES： O=C(C(CCCCCCCCCCC)=O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 366.34998
- Monoisotopic Mass: 366.349780706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 21
- Complexity: 290
- 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: 9.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
12,13-Tetracosanedione Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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