Cas no 1604-99-5 (Cyclobutanone, 2,4-dimethyl-, trans-)
1604-99-5 structure
Product Name:Cyclobutanone, 2,4-dimethyl-, trans-
CAS No:1604-99-5
MF:C6H10O
MW:98.1430020332336
CID:1339623
PubChem ID:71353930
Update Time:2025-04-20
Cyclobutanone, 2,4-dimethyl-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutanone, 2,4-dimethyl-, trans-
- (2S,4S)-2,4-dimethylcyclobutan-1-one
- 1604-99-5
- DTXSID10778642
-
- Inchi： 1S/C6H10O/c1-4-3-5(2)6(4)7/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
- InChI Key： DJYHNXPUOPESJN-WHFBIAKZSA-N
- SMILES： O=C1[C@@H](C)C[C@@H]1C
Computed Properties
- Exact Mass: 98.0732
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 86.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclobutanone, 2,4-dimethyl-, trans- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
1604-99-5 (Cyclobutanone, 2,4-dimethyl-, trans-) Related Products
- 3019-25-8(1-cyclobutylethan-1-one)
- 19781-29-4(3-Ethyl-4-octanone)
- 35900-26-6(4-Methyl-5-nonanone)
- 7335-17-3(3,5-Dimethyl-4-octanone, erythro + threo)
- 18641-71-9(2,4-Dimethyl-3-heptanone)
- 7379-12-6(2-methylhexan-3-one)
- 19781-14-7(2-Octanone,3,5-dimethyl-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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