Cas no 129080-34-8 (1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)-)
129080-34-8 structure
Product Name:1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)-
CAS No:129080-34-8
MF:C28H46O4
MW:446.662449359894
CID:1224328
PubChem ID:12143521
Update Time:2025-04-20
1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)-
- 2,5-didecoxyterephthalaldehyde
- 129080-34-8
- DTXSID40478486
-
- Inchi： 1S/C28H46O4/c1-3-5-7-9-11-13-15-17-19-31-27-21-26(24-30)28(22-25(27)23-29)32-20-18-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3
- InChI Key： MQPYZRZPJYMKEQ-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=O)C(=CC=1C=O)OCCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 446.33978
- Monoisotopic Mass: 446.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 22
- Complexity: 399
- 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: 9.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
129080-34-8 (1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)-) Related Products
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