Cas no 94856-13-0 (1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl-)
![1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl- structure](https://ossimg.kuujia.com/scimg/95000/94856-13-0x500.png)
94856-13-0 structure
Product Name:1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl-
CAS No:94856-13-0
MF:C17H24O2
MW:260.371265411377
CID:735158
Update Time:2023-08-03
1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl-
- 1-(4-tert-butylphenyl)-4,4-dimethylpentane-1,3-dione
-
- Inchi： 1S/C17H24O2/c1-16(2,3)13-9-7-12(8-10-13)14(18)11-15(19)17(4,5)6/h7-10H,11H2,1-6H3
- InChI Key： XTVYHUQWSJMSCM-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC(=CC=1)C(C)(C)C)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 333
- Topological Polar Surface Area: 34.1
1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
94856-13-0 (1,3-Pentanedione, 1-[4-(1,1-dimethylethyl)phenyl]-4,4-dimethyl-) Related Products
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