Cas no 49642-48-0 (2,3-dimethylbutanal)
2,3-dimethylbutanal structure
Product Name:2,3-dimethylbutanal
CAS No:49642-48-0
MF:C6H12O
MW:100.158882141113
CID:3035861
PubChem ID:5289546
Update Time:2025-04-21
2,3-dimethylbutanal Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethylbutanal
- 2,3-dimethylbutyraldehyde; (R,S)-2,3-dimethylbutanal; 2,3-dimethyl-butyraldehyde; inactive-2.3-dimethyl-butanal-(1); (+/-)-2,3-dimethyl-butyraldehyde; (+/-)-2,3-Dimethyl-butyraldehyd
- 49642-48-0
- DTXSID301313396
- (2R)-2,3-Dimethylbutanal
- AKUUEDVRXOZTBF-LURJTMIESA-N
-
- Inchi： 1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3/t6-/m0/s1
- InChI Key： AKUUEDVRXOZTBF-LURJTMIESA-N
- SMILES： O=C[C@H](C)C(C)C
Computed Properties
- Exact Mass: 100.08900
- Monoisotopic Mass: 100.088815002Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 57.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 1.47740
2,3-dimethylbutanal Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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