Cas no 825636-96-2 (2-Butanol, 1-[[(1S,2R)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2S)-)
![2-Butanol, 1-[[(1S,2R)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2S)- structure](https://ossimg.kuujia.com/scimg/826000/825636-96-2x500.png)
825636-96-2 structure
Product Name:2-Butanol, 1-[[(1S,2R)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2S)-
CAS No:825636-96-2
MF:C14H28O2
MW:228.370924949646
CID:688031
PubChem ID:12132927
Update Time:2025-04-19
2-Butanol, 1-[[(1S,2R)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanol, 1-[[(1S,2R)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2S)-
- 825636-96-2
- DTXSID10478216
-
- Inchi： 1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3/t11-,12-,13-/m0/s1
- InChI Key： GQBVHGLNSHPKPG-AVGNSLFASA-N
- SMILES： O(C[C@H](CC)O)[C@H]1CCCC[C@@H]1C(C)(C)C
Computed Properties
- Exact Mass: 228.208930132g/mol
- Monoisotopic Mass: 228.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 29.5?2
2-Butanol, 1-[[(1S,2R)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2S)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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