Cas no 58141-94-9 (12,14-Nonacosanedione)
12,14-Nonacosanedione structure
Product Name:12,14-Nonacosanedione
CAS No:58141-94-9
MF:C29H56O2
MW:436.753749847412
CID:342978
PubChem ID:568008
Update Time:2025-04-19
12,14-Nonacosanedione Chemical and Physical Properties
Names and Identifiers
-
- 12,14-Nonacosanedione
- nonacosane-12,14-dione
- SCHEMBL7760601
- CHEBI:176727
- 58141-94-9
- DTXSID70340844
- ODJOAWUARZQRLR-UHFFFAOYSA-N
- Nonacosan-12,14-dion
-
- Inchi： 1S/C29H56O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-29(31)27-28(30)25-23-21-19-17-12-10-8-6-4-2/h3-27H2,1-2H3
- InChI Key： ODJOAWUARZQRLR-UHFFFAOYSA-N
- SMILES： O=C(CC(CCCCCCCCCCC)=O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 436.42828
- Monoisotopic Mass: 436.42803102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 26
- Complexity: 388
- 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: 12.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
12,14-Nonacosanedione Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
58141-94-9 (12,14-Nonacosanedione) 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)
- 110-13-4(hexane-2,5-dione)
- 502-56-7(5-Nonanone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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