Cas no 4188-70-9 (2-tert-Butoxyprop-1-ene)
2-tert-Butoxyprop-1-ene structure
Product Name:2-tert-Butoxyprop-1-ene
CAS No:4188-70-9
MF:C7H14O
MW:114.185462474823
CID:2827004
PubChem ID:12791486
Update Time:2025-04-21
2-tert-Butoxyprop-1-ene Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL12891742
- SCHEMBL471023
- 2-tert-Butoxyprop-1-ene
- 4188-70-9
- DTXCID00460781
- DTXSID70509974
-
- Inchi： 1S/C7H14O/c1-6(2)8-7(3,4)5/h1H2,2-5H3
- InChI Key： UIFUVEPTFQPRDX-UHFFFAOYSA-N
- SMILES： O(C(=C)C)C(C)(C)C
Computed Properties
- Exact Mass: 114.104465066Da
- Monoisotopic Mass: 114.104465066Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 87.1
- 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: 2.2
- Topological Polar Surface Area: 9.2?2
2-tert-Butoxyprop-1-ene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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