Cas no 259139-23-6 (3,3-Dioctyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine)
![3,3-Dioctyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine structure](https://ossimg.kuujia.com/scimg/259500/259139-23-6x500.png)
259139-23-6 structure
Product Name:3,3-Dioctyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
CAS No:259139-23-6
MF:C23H40O2S
MW:380.627506256104
CID:2640756
PubChem ID:69216928
Update Time:2025-04-21
3,3-Dioctyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dioctyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
- 3,3-Dioctyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
- 259139-23-6
- DTXSID50740020
- SCHEMBL4850421
- 3,4-dihydro-3,3-dioctyl-2h-thieno[3,4-b][1,4]-dioxepine
-
- Inchi： 1S/C23H40O2S/c1-3-5-7-9-11-13-15-23(16-14-12-10-8-6-4-2)19-24-21-17-26-18-22(21)25-20-23/h17-18H,3-16,19-20H2,1-2H3
- InChI Key： AANNULVAPUXWAZ-UHFFFAOYSA-N
- SMILES： S1C=C2C(=C1)OCC(CO2)(CCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 380.27490169Da
- Monoisotopic Mass: 380.27490169Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 14
- Complexity: 315
- 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: 9.7
- Topological Polar Surface Area: 46.7?2
3,3-Dioctyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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