Cas no 678967-25-4 (1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)-)
![1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)- structure](https://ossimg.kuujia.com/scimg/679000/678967-25-4x500.png)
678967-25-4 structure
Product Name:1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)-
CAS No:678967-25-4
MF:C16H18O4
MW:274.311725139618
CID:1722291
PubChem ID:44361238
Update Time:2025-04-21
1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)-
- 3-(1-phenylethenyl)-1,2,5-trioxaspiro[5.5]undecan-9-one
- SCHEMBL4490888
- 678967-25-4
- DTXSID80658442
- CHEMBL143402
-
- Inchi： 1S/C16H18O4/c1-12(13-5-3-2-4-6-13)15-11-18-16(20-19-15)9-7-14(17)8-10-16/h2-6,15H,1,7-11H2
- InChI Key： RNCHOPIHQYTSCH-UHFFFAOYSA-N
- SMILES： O1CC(C(=C)C2C=CC=CC=2)OOC21CCC(CC2)=O
Computed Properties
- Exact Mass: 274.12054
- Monoisotopic Mass: 274.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 374
- 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: 2.5
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
1,2,5-Trioxaspiro[5.5]undecan-9-one, 3-(1-phenylethenyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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