Cas no 5859-36-9 (Butanedioic acid, (phenylmethyl)-, didecyl ester)
5859-36-9 structure
Product Name:Butanedioic acid, (phenylmethyl)-, didecyl ester
CAS No:5859-36-9
MF:C31H52O4
MW:488.742190361023
CID:341554
PubChem ID:71245551
Update Time:2025-04-19
Butanedioic acid, (phenylmethyl)-, didecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (phenylmethyl)-, didecyl ester
- didecyl 2-benzylbutanedioate
- didecyl benzylsuccinate
- DTXSID80744253
- 5859-36-9
- SCHEMBL14673500
-
- Inchi： 1S/C31H52O4/c1-3-5-7-9-11-13-15-20-24-34-30(32)27-29(26-28-22-18-17-19-23-28)31(33)35-25-21-16-14-12-10-8-6-4-2/h17-19,22-23,29H,3-16,20-21,24-27H2,1-2H3
- InChI Key： XGZPYBFMAVFUSX-UHFFFAOYSA-N
- SMILES： O(C(C(CC1C=CC=CC=1)CC(=O)OCCCCCCCCCC)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 488.38676
- Monoisotopic Mass: 488.38656014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 25
- Complexity: 498
- 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: 10.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, (phenylmethyl)-, didecyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
5859-36-9 (Butanedioic acid, (phenylmethyl)-, didecyl ester) Related Products
- 607-81-8(Diethyl benzylmalonate)
- 10031-93-3(Benzenebutanoic Acid Ethyl Ester)
- 119-43-7(Ethyl 2-Phenylbutyrate)
- 116754-85-9(Benzenepentadecanoicacid, b-methyl-, methyl ester)
- 103-58-2(Propanoic acid,2-methyl-, 3-phenylpropyl ester)
- 620-79-1(Ethyl 2-benzylacetoacetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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