Cas no 6065-65-2 (Propanedioic acid, butylpropyl-, diethyl ester)
6065-65-2 structure
Product Name:Propanedioic acid, butylpropyl-, diethyl ester
CAS No:6065-65-2
MF:C14H26O4
MW:258.353845119476
CID:2834893
PubChem ID:12163288
Update Time:2025-04-21
Propanedioic acid, butylpropyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 2-butyl-2-propylmalonate
- 6065-65-2
- SCHEMBL7509536
- DTXSID80478945
- Propanedioic acid, butylpropyl-, diethyl ester
-
- Inchi： 1S/C14H26O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h5-11H2,1-4H3
- InChI Key： LLSBQVOMEVNTPH-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CCC)CCCC)=O
Computed Properties
- Exact Mass: 258.18310931Da
- Monoisotopic Mass: 258.18310931Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 243
- 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: 4.1
- Topological Polar Surface Area: 52.6?2
Propanedioic acid, butylpropyl-, diethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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