Cas no 63142-47-2 (12,14-tritriacontanedione)
12,14-tritriacontanedione structure
Product Name:12,14-tritriacontanedione
CAS No:63142-47-2
MF:C33H64O2
MW:492.860071182251
CID:2008651
PubChem ID:71373292
Update Time:2025-04-21
12,14-tritriacontanedione Chemical and Physical Properties
Names and Identifiers
-
- 12,14-tritriacontanedione
- tritriacontane-12,14-dione
- DTXSID60796119
- 63142-47-2
- tritriacontan-12,14-dione
-
- Inchi： 1S/C33H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-33(35)31-32(34)29-27-25-23-21-12-10-8-6-4-2/h3-31H2,1-2H3
- InChI Key： IXYSMBBIFVNPAB-UHFFFAOYSA-N
- SMILES： O=C(CC(CCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 492.49063128g/mol
- Monoisotopic Mass: 492.49063128g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 35
- Rotatable Bond Count: 30
- Complexity: 442
- 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: 14.5
- Topological Polar Surface Area: 34.1?2
12,14-tritriacontanedione Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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