Cas no 735269-10-0 (2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-, oxime, (1E,5R)-)
735269-10-0 structure
Product Name:2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-, oxime, (1E,5R)-
CAS No:735269-10-0
MF:C10H17NO
MW:167.248082876205
CID:559621
Update Time:2024-11-26
2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-, oxime, (1E,5R)- Chemical and Physical Properties
Names and Identifiers
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- 2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-, oxime, (1E,5R)-
- 2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-,oxime,(1E,5R)-(9CI)
- 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, oxime, (1E,5R)-
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- Inchi： 1S/C10H17NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,7,9,12H,5-6H2,1-3H3/b11-10+/t9-/m1/s1
- InChI Key： WEHKIEYKMLAEDU-HNLKAFMCSA-N
- SMILES： C1(=N/O)/C[C@H](C(C)C)CC=C/1C
Computed Properties
- Exact Mass: 167.131
- Monoisotopic Mass: 167.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
Experimental Properties
- Density: 1.01±0.1 g/cm3(Predicted)
- Boiling Point: 268.3±23.0 °C(Predicted)
- pka: 11.96±0.60(Predicted)
2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-, oxime, (1E,5R)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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