Cas no 586969-04-2 (2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate)
586969-04-2 structure
Product Name:2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate
CAS No:586969-04-2
MF:C29H54O4
MW:466.736670017242
CID:2833722
PubChem ID:71363808
Update Time:2025-04-21
2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate Chemical and Physical Properties
Names and Identifiers
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- DTXSID50787314
- 2-ETHYLHEXYL 3-OXO-2-PENTANOYLHEXADECANOATE
- 586969-04-2
- 2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate
-
- Inchi: 1S/C29H54O4/c1-5-9-12-13-14-15-16-17-18-19-20-23-27(31)28(26(30)22-11-7-3)29(32)33-24-25(8-4)21-10-6-2/h25,28H,5-24H2,1-4H3
- InChI Key: CNYSGFZLAGSZJN-UHFFFAOYSA-N
- SMILES: O(C(C(C(CCCC)=O)C(CCCCCCCCCCCCC)=O)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 466.40221020Da
- Monoisotopic Mass: 466.40221020Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 25
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.7
- Topological Polar Surface Area: 60.4?2
2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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