Cas no 841309-69-1 (Bis(2-hexyldecyl) butanedioate)
841309-69-1 structure
Product Name:Bis(2-hexyldecyl) butanedioate
CAS No:841309-69-1
MF:C36H70O4
MW:566.93861246109
CID:2804885
PubChem ID:57009743
Update Time:2025-04-21
Bis(2-hexyldecyl) butanedioate Chemical and Physical Properties
Names and Identifiers
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- Bis(2-hexyldecyl) butanedioate
- SCHEMBL345691
- DTXSID70720046
- 841309-69-1
-
- Inchi: 1S/C36H70O4/c1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)31-39-35(37)29-30-36(38)40-32-34(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h33-34H,5-32H2,1-4H3
- InChI Key: JIQQDZLFBDITIG-UHFFFAOYSA-N
- SMILES: O(C(CCC(=O)OCC(CCCCCC)CCCCCCCC)=O)CC(CCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 566.52741071Da
- Monoisotopic Mass: 566.52741071Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 40
- Rotatable Bond Count: 33
- Complexity: 499
- 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: 14.8
- Topological Polar Surface Area: 52.6?2
Bis(2-hexyldecyl) butanedioate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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