Cas no 29652-99-1 (Benzene, 4-methyl-1-(1-methylethyl)-2-(2-propenyloxy)-)
29652-99-1 structure
Product Name:Benzene, 4-methyl-1-(1-methylethyl)-2-(2-propenyloxy)-
CAS No:29652-99-1
MF:C13H18O
MW:190.281424045563
CID:2839747
PubChem ID:11148196
Update Time:2025-04-21
Benzene, 4-methyl-1-(1-methylethyl)-2-(2-propenyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- DTXCID70407709
- DTXSID90456890
- 2-(allyloxy)-1-isopropyl-4-methylbenzene
- Benzene, 4-methyl-1-(1-methylethyl)-2-(2-propenyloxy)-
- SCHEMBL6232310
- 29652-99-1
-
- Inchi： 1S/C13H18O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h5-7,9-10H,1,8H2,2-4H3
- InChI Key： ZBVUUDJJKCRUEJ-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C=C(C)C=CC=1C(C)C
Computed Properties
- Exact Mass: 190.135765193Da
- Monoisotopic Mass: 190.135765193Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 174
- 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: 4.4
- Topological Polar Surface Area: 9.2?2
Benzene, 4-methyl-1-(1-methylethyl)-2-(2-propenyloxy)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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