Cas no 941-44-6 (Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-)
941-44-6 structure
Product Name:Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-
CAS No:941-44-6
MF:C11H19NO
MW:181.274663209915
CID:1985071
PubChem ID:11105975
Update Time:2025-04-21
Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy-
- 4-tert-butyl-1-hydroxycyclohexane-1-carbonitrile
- 941-44-6
- DTXSID10455365
- 4-(tert-Butyl)-1-hydroxycyclohexanecarbonitrile
-
- Inchi: 1S/C11H19NO/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9,13H,4-7H2,1-3H3
- InChI Key: ZQUGNBLJAGLWPC-UHFFFAOYSA-N
- SMILES: OC1(C#N)CCC(CC1)C(C)(C)C
Computed Properties
- Exact Mass: 181.146664230g/mol
- Monoisotopic Mass: 181.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- 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: 2.4
- Topological Polar Surface Area: 44?2
Cyclohexanecarbonitrile, 4-(1,1-dimethylethyl)-1-hydroxy- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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