Cas no 87944-76-1 (2-palmitoyl-1,3-cyclohexanedione)
87944-76-1 structure
Product Name:2-palmitoyl-1,3-cyclohexanedione
CAS No:87944-76-1
MF:C22H38O3
MW:350.53532743454
CID:2018876
PubChem ID:4536046
Update Time:2025-04-21
2-palmitoyl-1,3-cyclohexanedione Chemical and Physical Properties
Names and Identifiers
-
- 2-palmitoyl-1,3-cyclohexanedione
- 2-palmitoylcyclohexane-1,3-dione
- 2-hexadecanoylcyclohexane-1,3-dione
- DTXSID40404043
- 1,3-Cyclohexanedione, 2-(1-oxohexadecyl)-
- SCHEMBL21197441
- 87944-76-1
-
- Inchi： 1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(23)22-20(24)17-15-18-21(22)25/h22H,2-18H2,1H3
- InChI Key： LHLQVKHGDWJTGB-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)C1C(CCCC1=O)=O
Computed Properties
- Exact Mass: 350.28209507g/mol
- Monoisotopic Mass: 350.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 384
- 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: 7.3
- Topological Polar Surface Area: 51.2?2
2-palmitoyl-1,3-cyclohexanedione Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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