Cas no 5682-70-2 (2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-)
5682-70-2 structure
Product Name:2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-
CAS No:5682-70-2
MF:C9H14O
MW:138.206862926483
CID:1600150
PubChem ID:11976997
Update Time:2025-04-21
2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-
- 3-tert-butylcyclopent-2-en-1-one
- 3-tert-butyl-2-cyclopenten-1-one
- 3-(tert-Butyl)cyclopent-2-en-1-one
- DTXSID20475059
- AKOS014313261
- FCQMPDWPOPCFOS-UHFFFAOYSA-N
- 3-tert-butylcyclopentenone
- SCHEMBL401755
- 5682-70-2
-
- Inchi： 1S/C9H14O/c1-9(2,3)7-4-5-8(10)6-7/h6H,4-5H2,1-3H3
- InChI Key： FCQMPDWPOPCFOS-UHFFFAOYSA-N
- SMILES： O=C1C=C(CC1)C(C)(C)C
Computed Properties
- Exact Mass: 138.10452
- Monoisotopic Mass: 138.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 1.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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