Cas no 431899-18-2 (Benzene, 1-ethoxy-2-(pentyloxy)- (9CI))
431899-18-2 structure
Product Name:Benzene, 1-ethoxy-2-(pentyloxy)- (9CI)
CAS No:431899-18-2
MF:C13H20O2
MW:208.296704292297
CID:1022748
PubChem ID:21880323
Update Time:2025-04-20
Benzene, 1-ethoxy-2-(pentyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-ethoxy-2-(pentyloxy)- (9CI)
- 1-ethoxy-2-pentoxybenzene
- SCHEMBL1276813
- DTXSID30619306
- Benzene, 1-ethoxy-2-(pentyloxy)-
- 1-Ethoxy-2-(pentyloxy)benzene
- DB-285257
- CHEMBL2252463
- 431899-18-2
-
- Inchi： 1S/C13H20O2/c1-3-5-8-11-15-13-10-7-6-9-12(13)14-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3
- InChI Key： GLVIMRBXUNCALJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1OCC)CCCCC
Computed Properties
- Exact Mass: 208.146329876g/mol
- Monoisotopic Mass: 208.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 148
- 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: 3.8
- Topological Polar Surface Area: 18.5?2
Benzene, 1-ethoxy-2-(pentyloxy)- (9CI) Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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