Cas no 98899-26-4 (dibutyl cyclobutane-1,1-dicarboxylate)
98899-26-4 structure
Product Name:dibutyl cyclobutane-1,1-dicarboxylate
CAS No:98899-26-4
MF:C14H24O4
MW:256.337965011597
CID:1993399
PubChem ID:1878905
Update Time:2025-04-21
dibutyl cyclobutane-1,1-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- dibutyl cyclobutane-1,1-dicarboxylate
- 1,1-cyclobutanedicarboxylic acid, dibutyl ester
- cyclobutane-1,1-dicarboxylic acid dibutyl ester
- 98899-26-4
- DTXSID40365443
- SCHEMBL6058609
-
- Inchi: 1S/C14H24O4/c1-3-5-10-17-12(15)14(8-7-9-14)13(16)18-11-6-4-2/h3-11H2,1-2H3
- InChI Key: ASKLWMYRBLRFJE-UHFFFAOYSA-N
- SMILES: O(CCCC)C(C1(C(=O)OCCCC)CCC1)=O
Computed Properties
- Exact Mass: 256.167
- Monoisotopic Mass: 256.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.051
- Boiling Point: 298.8°C at 760 mmHg
- Flash Point: 135.6°C
- Refractive Index: 1.47
dibutyl cyclobutane-1,1-dicarboxylate Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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