Cas no 834885-75-5 (Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1S,2R)-)
834885-75-5 structure
Product Name:Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1S,2R)-
CAS No:834885-75-5
MF:C10H17NO
MW:167.248082876205
CID:670700
PubChem ID:71415297
Update Time:2025-04-19
Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1S,2R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1S,2R)-
- 834885-75-5
- (1S,2R)-2-Butyl-1-hydroxycyclopentane-1-carbonitrile
- DTXSID10834717
-
- Inchi： 1S/C10H17NO/c1-2-3-5-9-6-4-7-10(9,12)8-11/h9,12H,2-7H2,1H3/t9-,10-/m1/s1
- InChI Key： BPGMMOKNYWTRSX-NXEZZACHSA-N
- SMILES： O[C@@]1(C#N)CCC[C@H]1CCCC
Computed Properties
- Exact Mass: 167.131014166g/mol
- Monoisotopic Mass: 167.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 44?2
Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1S,2R)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
834885-75-5 (Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1S,2R)-) Related Products
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