Cas no 63307-60-8 (2-Butanone, 4-(2,6-dimethylcyclohexyl)-)
63307-60-8 structure
Product Name:2-Butanone, 4-(2,6-dimethylcyclohexyl)-
CAS No:63307-60-8
MF:C12H22O
MW:182.302484035492
CID:390239
PubChem ID:550294
Update Time:2025-04-19
2-Butanone, 4-(2,6-dimethylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-(2,6-dimethylcyclohexyl)-
- 4-(2,6-dimethylcyclohexyl)butan-2-one
- DTXSID90338627
- 4-(2,6-Dimethylcyclohexyl)-2-butanone #
- 63307-60-8
- IDOOZJDBFKJMEF-UHFFFAOYSA-N
- SCHEMBL17772231
-
- Inchi： 1S/C12H22O/c1-9-5-4-6-10(2)12(9)8-7-11(3)13/h9-10,12H,4-8H2,1-3H3
- InChI Key： IDOOZJDBFKJMEF-UHFFFAOYSA-N
- SMILES： O=C(C)CCC1C(C)CCCC1C
Computed Properties
- Exact Mass: 182.167065321g/mol
- Monoisotopic Mass: 182.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 164
- 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: 3.5
- Topological Polar Surface Area: 17.1?2
2-Butanone, 4-(2,6-dimethylcyclohexyl)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
63307-60-8 (2-Butanone, 4-(2,6-dimethylcyclohexyl)-) Related Products
- 823-76-7(1-cyclohexylethan-1-one)
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- 2979-19-3(3,3-dimethylcyclohexan-1-one)
- 61203-83-6(4-Pentylcyclohexanone)
- 700-58-3(Adamantanone)
- 583-60-8(2-Methylcyclohexanone)
- 98-53-3(4-tert-butylcyclohexan-1-one)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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