Cas no 108996-61-8 (1,2-dimethoxy-4-(3-methylbutyl)benzene)
108996-61-8 structure
Product Name:1,2-dimethoxy-4-(3-methylbutyl)benzene
CAS No:108996-61-8
MF:C13H20O2
MW:208.296704292297
CID:1190565
PubChem ID:22956179
Update Time:2025-04-20
1,2-dimethoxy-4-(3-methylbutyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2-dimethoxy-4-(3-methylbutyl)benzene
- 4-Isoamylveratrol
- CTK0G2559
- 4-isopentyl-1,2-dimethoxy-benzene
- ACMC-20mbyc
- 4-Isopentyl-1,2-dimethoxy-benzol
- SureCN178400
- Benzene, 1,2-dimethoxy-4-(3-methylbutyl)-
- 4-Isoamylveratrol; CTK0G2559; 4-isopentyl-1,2-dimethoxy-benzene; ACMC-20mbyc; 4-Isopentyl-1,2-dimethoxy-benzol; SureCN178400; Benzene, 1,2-dimethoxy-4-(3-methylbutyl)-;
- DTXSID40629198
- 108996-61-8
- SCHEMBL178400
-
- Inchi： 1S/C13H20O2/c1-10(2)5-6-11-7-8-12(14-3)13(9-11)15-4/h7-10H,5-6H2,1-4H3
- InChI Key： BIZDXHFVERDHHG-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=CC(=C1)CCC(C)C)OC
Computed Properties
- Exact Mass: 208.1464
- 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: 5
- Complexity: 168
- 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: 3.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,2-dimethoxy-4-(3-methylbutyl)benzene Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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