Cas no 918827-98-2 (Benzene, 1-butoxy-3-(1,1-dimethylethyl)-)
918827-98-2 structure
Product Name:Benzene, 1-butoxy-3-(1,1-dimethylethyl)-
CAS No:918827-98-2
MF:C14H22O
MW:206.323884487152
CID:769994
PubChem ID:59734497
Update Time:2025-04-19
Benzene, 1-butoxy-3-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-butoxy-3-(1,1-dimethylethyl)-
- 1-butoxy-3-tert-butylbenzene
- SCHEMBL12251342
- DTXSID40732777
- 918827-98-2
-
- Inchi： 1S/C14H22O/c1-5-6-10-15-13-9-7-8-12(11-13)14(2,3)4/h7-9,11H,5-6,10H2,1-4H3
- InChI Key： CYCUEDCSJPHBRH-UHFFFAOYSA-N
- SMILES： O(CCCC)C1=CC=CC(=C1)C(C)(C)C
Computed Properties
- Exact Mass: 206.167065321g/mol
- Monoisotopic Mass: 206.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 169
- 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: 4.6
- Topological Polar Surface Area: 9.2?2
Benzene, 1-butoxy-3-(1,1-dimethylethyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
918827-98-2 (Benzene, 1-butoxy-3-(1,1-dimethylethyl)-) Related Products
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