Cas no 39117-89-0 (5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one)
![5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one structure](https://ossimg.kuujia.com/scimg/39500/39117-89-0x500.png)
39117-89-0 structure
Product Name:5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CAS No:39117-89-0
MF:C15H22O2
MW:234.333984851837
CID:2825335
PubChem ID:12674226
Update Time:2025-04-21
5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID80506459
- 5,7-Di-tert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
- 39117-89-0
- 5,7-ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-on
- 5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
-
- Inchi： 1S/C15H22O2/c1-13(2,3)10-7-11(14(4,5)6)12(16)15(8-10)9-17-15/h7-8H,9H2,1-6H3
- InChI Key： BDBAWMGOWUSJRY-UHFFFAOYSA-N
- SMILES： O1CC21C=C(C=C(C(C)(C)C)C2=O)C(C)(C)C
Computed Properties
- Exact Mass: 234.161979940Da
- Monoisotopic Mass: 234.161979940Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 427
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 29.6?2
5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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