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4-[(tert-Butyldiphenylsilyl)oxy]cyclohexan-1-one , CAS No.130745-59-4
Discover 4-[(tert-Butyldiphenylsilyl)oxy]cyclohexan-1-one by Aladdin Scientific in for only $499.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
130745-59-4 | Cyclohexanone, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]- | 4-[(tert-butyldiphenylsilyl)oxy]cyclohexan-1-one | Cyclohexanone,4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]- | 4-((tert-Butyldiphenylsilyl)oxy)cyclohexanone | 4-[tert-butyl(diphenyl)silyl]oxyc
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organometallic compounds
Class
Organometalloid compounds
Subclass
Organosilicon compounds
Intermediate Tree Nodes
Not available
Direct Parent
Alkylarylsilanes
Alternative Parents
Benzene and substituted derivatives Silyl ethers Cyclic ketones Organoheterosilanes Organic metalloid salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Silyl ether - Ketone - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-[tert-butyl(diphenyl)silyl]oxycyclohexan-1-one
INCHI
InChI=1S/C22H28O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-19-16-14-18(23)15-17-19/h4-13,19H,14-17H2,1-3H3
InChIKey
QCWGWVNDCMJXAK-UHFFFAOYSA-N
Smiles
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCC(=O)CC3
Isomeric SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCC(=O)CC3
Molecular Weight
352.54
Reaxy-Rn
4298461
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4298461&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
352.500 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
352.186 Da
Monoisotopic Mass
352.186 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
413.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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