Cas no 62390-68-5 (Benzonitrile, 3,5-bis(1,1-dimethylpropyl)-2-hydroxy-)
62390-68-5 structure
Product Name:Benzonitrile, 3,5-bis(1,1-dimethylpropyl)-2-hydroxy-
CAS No:62390-68-5
MF:C17H25NO
MW:259.386504888535
CID:446608
PubChem ID:21411806
Update Time:2025-04-19
Benzonitrile, 3,5-bis(1,1-dimethylpropyl)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3,5-bis(1,1-dimethylpropyl)-2-hydroxy-
- 2-hydroxy-3,5-bis(2-methylbutan-2-yl)benzonitrile
- DTXSID70613328
- 62390-68-5
-
- Inchi： 1S/C17H25NO/c1-7-16(3,4)13-9-12(11-18)15(19)14(10-13)17(5,6)8-2/h9-10,19H,7-8H2,1-6H3
- InChI Key： DJKYIGGTELUWRL-UHFFFAOYSA-N
- SMILES： OC1=C(C#N)C=C(C=C1C(C)(C)CC)C(C)(C)CC
Computed Properties
- Exact Mass: 259.19375
- Monoisotopic Mass: 259.193614421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 350
- 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: 6.3
- Topological Polar Surface Area: 44?2
Experimental Properties
- PSA: 44.02
Benzonitrile, 3,5-bis(1,1-dimethylpropyl)-2-hydroxy- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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