Cas no 146694-10-2 (2-Cyclopenten-1-one,3-methoxy-5-(1-methylethyl)-)
146694-10-2 structure
Product Name:2-Cyclopenten-1-one,3-methoxy-5-(1-methylethyl)-
CAS No:146694-10-2
MF:C9H14O2
MW:154.206263065338
CID:101063
PubChem ID:21676995
Update Time:2025-04-18
2-Cyclopenten-1-one,3-methoxy-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one,3-methoxy-5-(1-methylethyl)-
- 2-Cyclopenten-1-one,3-methoxy-5-(1-methylethyl)-(9CI)
- 146694-10-2
- SCHEMBL20133226
- 3-Methoxy-5-propan-2-ylcyclopent-2-en-1-one
-
- Inchi： 1S/C9H14O2/c1-6(2)8-4-7(11-3)5-9(8)10/h5-6,8H,4H2,1-3H3
- InChI Key： ZXNHJQOFXVIYCX-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C(C1)C(C)C)=O
Computed Properties
- Exact Mass: 154.099379685g/mol
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 26.3?2
2-Cyclopenten-1-one,3-methoxy-5-(1-methylethyl)- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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