Cas no 90546-39-7 (Diethyl octadecyl(tetradecyl)propanedioate)
90546-39-7 structure
Product Name:Diethyl octadecyl(tetradecyl)propanedioate
CAS No:90546-39-7
MF:C39H76O4
MW:609.018353462219
CID:2812404
PubChem ID:71327463
Update Time:2025-04-21
Diethyl octadecyl(tetradecyl)propanedioate Chemical and Physical Properties
Names and Identifiers
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- 90546-39-7
- Diethyl octadecyl(tetradecyl)propanedioate
- SCHEMBL11063113
- DTXSID00756530
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- Inchi： 1S/C39H76O4/c1-5-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-39(37(40)42-7-3,38(41)43-8-4)35-33-31-29-27-25-20-18-16-14-12-10-6-2/h5-36H2,1-4H3
- InChI Key： WKCIFWCYPLDGQX-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 608.57436090Da
- Monoisotopic Mass: 608.57436090Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 43
- Rotatable Bond Count: 36
- Complexity: 584
- 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: 17.7
- Topological Polar Surface Area: 52.6?2
Diethyl octadecyl(tetradecyl)propanedioate Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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