Cas no 5859-38-1 (Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester)
![Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester structure](https://ossimg.kuujia.com/scimg/6000/5859-38-1x500.png)
5859-38-1 structure
Product Name:Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester
CAS No:5859-38-1
MF:C32H54O4
MW:502.768770694733
CID:341551
PubChem ID:71443450
Update Time:2025-04-19
Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester
- didecyl 2-[(4-methylphenyl)methyl]butanedioate
- 5859-38-1
- DTXSID70852275
-
- Inchi： 1S/C32H54O4/c1-4-6-8-10-12-14-16-18-24-35-31(33)27-30(26-29-22-20-28(3)21-23-29)32(34)36-25-19-17-15-13-11-9-7-5-2/h20-23,30H,4-19,24-27H2,1-3H3
- InChI Key： BLMAYAJKMKRTGF-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCCCCCCCCCC)CC1C=CC(C)=CC=1)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 502.40242
- Monoisotopic Mass: 502.40221020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 25
- Complexity: 524
- 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: 11.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
5859-38-1 (Butanedioic acid, [(4-methylphenyl)methyl]-, didecyl ester) Related Products
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