Cas no 61286-42-8 (Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester)
61286-42-8 structure
Product Name:Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester
CAS No:61286-42-8
MF:C19H36O5
MW:344.48614692688
CID:485791
PubChem ID:71397395
Update Time:2025-04-19
Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester
- 6-O-(2-ethylhexyl) 1-O-(3-methoxybutyl) hexanedioate
- 61286-42-8
- DTXSID00818900
- 2-Ethylhexyl 3-methoxybutyl hexanedioate
-
- Inchi： 1S/C19H36O5/c1-5-7-10-17(6-2)15-24-19(21)12-9-8-11-18(20)23-14-13-16(3)22-4/h16-17H,5-15H2,1-4H3
- InChI Key： LLHNDHZVBKSGAF-UHFFFAOYSA-N
- SMILES： O(C(CCCCC(=O)OCCC(C)OC)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 344.25638
- Monoisotopic Mass: 344.25627424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 330
- 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: 4.4
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
61286-42-8 (Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester) Related Products
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