Cas no 97889-86-6 (Phenol,tetrakis(1-methylpropyl)- (9CI))
97889-86-6 structure
Product Name:Phenol,tetrakis(1-methylpropyl)- (9CI)
CAS No:97889-86-6
MF:C22H38O
MW:318.53652715683
CID:815270
PubChem ID:21315496
Update Time:2025-04-19
Phenol,tetrakis(1-methylpropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,tetrakis(1-methylpropyl)- (9CI)
- 2,3,4,5-tetra(butan-2-yl)phenol
- tetra-sec-butylphenol
- SCHEMBL11528026
- NS00066500
- 97889-86-6
- EINECS 308-164-8
- DTXSID60913561
-
- Inchi： 1S/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3
- InChI Key： CBHPYQFMMHSJAU-UHFFFAOYSA-N
- SMILES： OC1C=C(C(C)CC)C(C(C)CC)=C(C=1C(C)CC)C(C)CC
Computed Properties
- Exact Mass: 318.292265831g/mol
- Monoisotopic Mass: 318.292265831g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 17
- XLogP3: 8.2
- Topological Polar Surface Area: 20.2?2
Phenol,tetrakis(1-methylpropyl)- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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