Cas no 106017-77-0 (2,2-Dimethyl-1,3-dioxan-4-one)
2,2-Dimethyl-1,3-dioxan-4-one structure
Product Name:2,2-Dimethyl-1,3-dioxan-4-one
CAS No:106017-77-0
MF:C6H10O3
MW:130.141802310944
CID:893761
PubChem ID:13631043
Update Time:2025-04-19
2,2-Dimethyl-1,3-dioxan-4-one Chemical and Physical Properties
Names and Identifiers
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- 2,2-Dimethyl-1,3-dioxan-4-one
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- Inchi： 1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3-4H2,1-2H3
- InChI Key： DWZLYGCPJUPBEC-UHFFFAOYSA-N
- SMILES： O1CCC(=O)OC1(C)C
Computed Properties
- Exact Mass: 130.062994177g/mol
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 35.5?2
2,2-Dimethyl-1,3-dioxan-4-one Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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