Cas no 5859-35-8 (Butanedioic acid, (phenylmethyl)-, dinonyl ester)
5859-35-8 structure
Product Name:Butanedioic acid, (phenylmethyl)-, dinonyl ester
CAS No:5859-35-8
MF:C29H48O4
MW:460.689029693604
CID:341556
PubChem ID:71443452
Update Time:2025-04-19
Butanedioic acid, (phenylmethyl)-, dinonyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (phenylmethyl)-, dinonyl ester
- dinonyl 2-benzylbutanedioate
- DTXSID90852277
- 5859-35-8
-
- Inchi： 1S/C29H48O4/c1-3-5-7-9-11-13-18-22-32-28(30)25-27(24-26-20-16-15-17-21-26)29(31)33-23-19-14-12-10-8-6-4-2/h15-17,20-21,27H,3-14,18-19,22-25H2,1-2H3
- InChI Key： PJKAJMAUWLQJCF-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCCCCCCCCC)CC1C=CC=CC=1)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 460.35544
- Monoisotopic Mass: 460.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 23
- Complexity: 470
- 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: 9.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, (phenylmethyl)-, dinonyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
5859-35-8 (Butanedioic acid, (phenylmethyl)-, dinonyl ester) Related Products
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- 103-58-2(Propanoic acid,2-methyl-, 3-phenylpropyl ester)
- 620-79-1(Ethyl 2-benzylacetoacetate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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