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119414-47-0 | 2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CAS No: 119414-47-0 Catalog No: AG000P79 MDL No:
Product Description
Catalog Number:
AG000P79
Chemical Name:
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CAS Number:
119414-47-0
Molecular Formula:
C12H22O2Si
Molecular Weight:
226.3874
IUPAC Name:
4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
InChI:
InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6,8,11H,7,9H2,1-5H3
InChI Key:
YBAZWYDRNMPFPN-UHFFFAOYSA-N
SMILES:
CC([Si](OC1CCC(=O)C=C1)(C)C)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.139g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.391g/mol
Monoisotopic Mass:
226.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Controlling the facial selectivity of asymmetric [4+2] cyclo-additions: a concise synthesis of the cis-decalin core structure of superstolides A and B. | Organic letters 20110715 |
| The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone. | Organic & biomolecular chemistry 20100207 |
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