Cas no 87887-21-6 (2-Pentanol, 1-[(2,2,3,6-tetramethylcyclohexyl)oxy]-)
![2-Pentanol, 1-[(2,2,3,6-tetramethylcyclohexyl)oxy]- structure](https://ossimg.kuujia.com/scimg/88000/87887-21-6x500.png)
87887-21-6 structure
Product Name:2-Pentanol, 1-[(2,2,3,6-tetramethylcyclohexyl)oxy]-
CAS No:87887-21-6
MF:C15H30O2
MW:242.397505283356
CID:651061
PubChem ID:19910538
Update Time:2025-04-19
2-Pentanol, 1-[(2,2,3,6-tetramethylcyclohexyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanol, 1-[(2,2,3,6-tetramethylcyclohexyl)oxy]-
- 1-(2,2,3,6-tetramethylcyclohexyl)oxypentan-2-ol
- SCHEMBL5152981
- DTXSID80601231
- 87887-21-6
- 1-[(2,2,3,6-Tetramethylcyclohexyl)oxy]pentan-2-ol
-
- Inchi： 1S/C15H30O2/c1-6-7-13(16)10-17-14-11(2)8-9-12(3)15(14,4)5/h11-14,16H,6-10H2,1-5H3
- InChI Key： XQBGTCNLICGRNA-UHFFFAOYSA-N
- SMILES： O(CC(CCC)O)C1C(C)CCC(C)C1(C)C
Computed Properties
- Exact Mass: 242.224580195g/mol
- Monoisotopic Mass: 242.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 225
- 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
- XLogP3: 4.2
- Topological Polar Surface Area: 29.5?2
2-Pentanol, 1-[(2,2,3,6-tetramethylcyclohexyl)oxy]- Related Literature
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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