Cas no 109950-29-0 (2,2-Dimethyl-6-(5'-hexenyl)-1,3-dioxin-4-one)
109950-29-0 structure
Product Name:2,2-Dimethyl-6-(5'-hexenyl)-1,3-dioxin-4-one
CAS No:109950-29-0
MF:C12H18O3
MW:210.269524097443
CID:2886450
Update Time:2023-08-10
2,2-Dimethyl-6-(5'-hexenyl)-1,3-dioxin-4-one Chemical and Physical Properties
Names and Identifiers
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- 2,2-Dimethyl-6-(5'-hexenyl)-1,3-dioxin-4-one
- 2,2-Dimethyl-6-(5-hexenyl)-4H-1,3-dioxin-4-one
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- Inchi： 1S/C12H18O3/c1-4-5-6-7-8-10-9-11(13)15-12(2,3)14-10/h4,9H,1,5-8H2,2-3H3
- InChI Key： GEASTIFLUYRPRW-UHFFFAOYSA-N
- SMILES： O1C(=CC(=O)OC1(C)C)CCCCC=C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 277
- XLogP3: 3.1
- Topological Polar Surface Area: 35.5
2,2-Dimethyl-6-(5'-hexenyl)-1,3-dioxin-4-one Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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