Cas no 62454-70-0 (1-Butene, 1,4-diethoxy-)
1-Butene, 1,4-diethoxy- structure
Product Name:1-Butene, 1,4-diethoxy-
CAS No:62454-70-0
MF:C8H16O2
MW:144.211442947388
CID:444293
PubChem ID:71386270
Update Time:2025-04-19
1-Butene, 1,4-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butene, 1,4-diethoxy-
- 1,4-diethoxybut-1-ene
- 62454-70-0
- DTXSID70808454
-
- Inchi： 1S/C8H16O2/c1-3-9-7-5-6-8-10-4-2/h5,7H,3-4,6,8H2,1-2H3
- InChI Key： XXGRVFSXEFSXRE-UHFFFAOYSA-N
- SMILES： O(CC)CCC=COCC
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 79.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1-Butene, 1,4-diethoxy- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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