Cas no 653578-18-8 (Benzene, 1-(2,2-dimethylpropyl)-4-(2-propenyloxy)-)
653578-18-8 structure
Product Name:Benzene, 1-(2,2-dimethylpropyl)-4-(2-propenyloxy)-
CAS No:653578-18-8
MF:C14H20O
MW:204.308004379272
CID:400318
PubChem ID:69051222
Update Time:2025-04-19
Benzene, 1-(2,2-dimethylpropyl)-4-(2-propenyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(2,2-dimethylpropyl)-4-(2-propenyloxy)-
- 1-(2,2-dimethylpropyl)-4-prop-2-enoxybenzene
- 1-(2,2-Dimethylpropyl)-4-[(prop-2-en-1-yl)oxy]benzene
- 653578-18-8
- 1-allyloxy-4-neopentylbenzene
- DTXSID40739600
- ZHUIQDTWZGXZNL-UHFFFAOYSA-N
- SCHEMBL4456470
-
- Inchi： 1S/C14H20O/c1-5-10-15-13-8-6-12(7-9-13)11-14(2,3)4/h5-9H,1,10-11H2,2-4H3
- InChI Key： ZHUIQDTWZGXZNL-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C=CC(=CC=1)CC(C)(C)C
Computed Properties
- Exact Mass: 204.1515
- Monoisotopic Mass: 204.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 182
- 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: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-(2,2-dimethylpropyl)-4-(2-propenyloxy)- Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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