Cas no 67883-69-6 (2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol)
67883-69-6 structure
Product Name:2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol
CAS No:67883-69-6
MF:C14H20O2
MW:220.307404518127
CID:967540
PubChem ID:331734
Update Time:2025-04-19
2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5-trimethyl-6-(3-methylbut-2-enyl)benzene-1,4-diol
- SCHEMBL6031763
- DTXSID10318123
- 2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol
- NSC326229
- 67883-69-6
- NSC-326229
-
- Inchi： 1S/C14H20O2/c1-8(2)6-7-12-11(5)13(15)9(3)10(4)14(12)16/h6,15-16H,7H2,1-5H3
- InChI Key： VBELYGYSIZESQP-UHFFFAOYSA-N
- SMILES： OC1=C(C)C(C)=C(C(C)=C1C/C=C(\C)/C)O
Computed Properties
- Exact Mass: 220.146329876g/mol
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 4.2
- Topological Polar Surface Area: 40.5?2
2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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