Cas no 89579-45-3 (Pentadecanoic acid, 3-butyl-3-hexyl-2-oxo-)
89579-45-3 structure
Product Name:Pentadecanoic acid, 3-butyl-3-hexyl-2-oxo-
CAS No:89579-45-3
MF:C25H48O3
MW:396.646828651428
CID:595760
PubChem ID:71325051
Update Time:2025-04-19
Pentadecanoic acid, 3-butyl-3-hexyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Pentadecanoic acid, 3-butyl-3-hexyl-2-oxo-
- 3-butyl-3-hexyl-2-oxopentadecanoic acid
- 89579-45-3
- DTXSID00754450
-
- Inchi： 1S/C25H48O3/c1-4-7-10-12-13-14-15-16-17-19-22-25(20-9-6-3,23(26)24(27)28)21-18-11-8-5-2/h4-22H2,1-3H3,(H,27,28)
- InChI Key： GWPNUKNGTYITLQ-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)C(CCCC)(CCCCCC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 396.36034539g/mol
- Monoisotopic Mass: 396.36034539g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 21
- Complexity: 391
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.8
- Topological Polar Surface Area: 54.4?2
Pentadecanoic acid, 3-butyl-3-hexyl-2-oxo- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
89579-45-3 (Pentadecanoic acid, 3-butyl-3-hexyl-2-oxo-) Related Products
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