Cas no 88218-97-7 (3-Butyn-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-)
88218-97-7 structure
Product Name:3-Butyn-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No:88218-97-7
MF:C13H18O2
MW:206.280824184418
CID:640912
PubChem ID:6430825
Update Time:2025-04-19
3-Butyn-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Butyn-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
- 4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-one
- DTXSID10424016
- SZKRSYBOEULCED-UHFFFAOYSA-N
- 3-hydroxy-7,8-didehydro-.beta.-ionone
- 88218-97-7
-
- Inchi： 1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3
- InChI Key： SZKRSYBOEULCED-UHFFFAOYSA-N
- SMILES： OC1CC(C)=C(C#CC(C)=O)C(C)(C)C1
Computed Properties
- Exact Mass: 206.130679813g/mol
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- 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: 1.7
- Topological Polar Surface Area: 37.3?2
3-Butyn-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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