Cas no 88974-60-1 (1,2-Cyclohexanedione, 3-butyl-)
88974-60-1 structure
Product Name:1,2-Cyclohexanedione, 3-butyl-
CAS No:88974-60-1
MF:C10H16O2
MW:168.232843399048
CID:617481
PubChem ID:13756293
Update Time:2025-04-19
1,2-Cyclohexanedione, 3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedione, 3-butyl-
- 3-butylcyclohexane-1,2-dione
- DTXSID70548505
- 88974-60-1
-
- Inchi： 1S/C10H16O2/c1-2-3-5-8-6-4-7-9(11)10(8)12/h8H,2-7H2,1H3
- InChI Key： SEGYOZXVMUQJPJ-UHFFFAOYSA-N
- SMILES： O=C1C(CCCC1CCCC)=O
Computed Properties
- Exact Mass: 168.115029749g/mol
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 184
- 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: 2
- Topological Polar Surface Area: 34.1?2
1,2-Cyclohexanedione, 3-butyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
88974-60-1 (1,2-Cyclohexanedione, 3-butyl-) Related Products
- 2767-84-2((1S)-(+)-Camphorquinone)
- 3008-43-3(3-Methylcyclohexane-1,2-dione)
- 846-46-8(5a-Androstanedione)
- 10334-26-6((1R)-(-)Camphorquinone)
- 7493-58-5(2,3-Pentanedione,4-methyl-)
- 10373-78-1(DL-Camphorquinone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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