Cas no 1359844-02-2 (pinacol(4-pentylphenyl)boronate)
1359844-02-2 structure
Product Name:pinacol(4-pentylphenyl)boronate
CAS No:1359844-02-2
MF:C17H27BO2
MW:274.206085443497
CID:3035767
PubChem ID:57396518
Update Time:2025-04-21
pinacol(4-pentylphenyl)boronate Chemical and Physical Properties
Names and Identifiers
-
- pinacol(4-pentylphenyl)boronate
- 1359844-02-2
- CHEMBL1952303
- 4,4,5,5-tetramethyl-2-(4-pentylphenyl)-1,3,2-dioxaborolane
- DTXSID201194696
- 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(4-pentylphenyl)-
- BDBM50364290
-
- Inchi： 1S/C17H27BO2/c1-6-7-8-9-14-10-12-15(13-11-14)18-19-16(2,3)17(4,5)20-18/h10-13H,6-9H2,1-5H3
- InChI Key： YYAOSGNPSXDVEF-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(=CC=2)CCCCC)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 274.21000
- Monoisotopic Mass: 274.2104103Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 290
- 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
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46000
- LogP: 3.71850
pinacol(4-pentylphenyl)boronate Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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