Cas no 97692-44-9 (5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one)
97692-44-9 structure
Product Name:5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one
CAS No:97692-44-9
MF:C15H26O
MW:222.366344928741
CID:1002246
PubChem ID:113413
Update Time:2025-04-20
5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one
- 5-ethyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one
- EINECS 307-697-3
- NS00065669
- 5-Ethyl-5-methyl-4-(propan-2-yl)-2-(propan-2-ylidene)cyclohexan-1-one
- 97692-44-9
- DTXSID80913740
- CLVSCAKIBKSJQX-UHFFFAOYSA-N
-
- Inchi: 1S/C15H26O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h11,13H,7-9H2,1-6H3
- InChI Key: CLVSCAKIBKSJQX-UHFFFAOYSA-N
- SMILES: O=C1/C(=C(\C)/C)/CC(C(C)C)C(C)(CC)C1
Computed Properties
- Exact Mass: 222.198
- Monoisotopic Mass: 222.198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.879
- Boiling Point: 297.4°Cat760mmHg
- Flash Point: 138.4°C
- Refractive Index: 1.458
5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
97692-44-9 (5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one) Related Products
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