Cas no 81634-59-5 (Benzene, (1,1-dimethylpropoxy)-)
81634-59-5 structure
Product Name:Benzene, (1,1-dimethylpropoxy)-
CAS No:81634-59-5
MF:C11H16O
MW:164.244143486023
CID:1804213
PubChem ID:12931976
Update Time:2025-04-21
Benzene, (1,1-dimethylpropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (1,1-dimethylpropoxy)-
- (1,1-Dimethylpropoxy)benzene
- (1,1-Dimethyl-propoxy)-benzene
- DB-372161
- 81634-59-5
- SCHEMBL183720
- 2-methyl-2-phenoxybutane
-
- Inchi： 1S/C11H16O/c1-4-11(2,3)12-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
- InChI Key： RDJVZDDEYRMCKB-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C)(C)CC
Computed Properties
- Exact Mass: 164.120115130g/mol
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 123
- 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: 3.4
- Topological Polar Surface Area: 9.2?2
Benzene, (1,1-dimethylpropoxy)- Related Literature
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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