Cas no 4747-05-1 (1,3-Butadiene, 2-ethoxy-)
1,3-Butadiene, 2-ethoxy- structure
Product Name:1,3-Butadiene, 2-ethoxy-
CAS No:4747-05-1
MF:C6H10O
MW:98.1430020332336
CID:1518224
PubChem ID:10678193
Update Time:2025-04-21
1,3-Butadiene, 2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butadiene, 2-ethoxy-
- 4747-05-1
- 2-ethoxybutadiene
- 2-ethoxy-buta-1,3-diene
- DTXSID60443297
-
- Inchi: 1S/C6H10O/c1-4-6(3)7-5-2/h4H,1,3,5H2,2H3
- InChI Key: NKKSFXOEWMZVTO-UHFFFAOYSA-N
- SMILES: O(C(=C)C=C)CC
Computed Properties
- Exact Mass: 98.0732
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 74.2
- 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: 2
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1,3-Butadiene, 2-ethoxy- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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