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199613-48-4 | 2-Cyclohexen-1-one, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (5S)-
CAS No: 199613-48-4 Catalog No: AG002C8Z MDL No:
Product Description
Catalog Number:
AG002C8Z
Chemical Name:
2-Cyclohexen-1-one, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (5S)-
CAS Number:
199613-48-4
Molecular Formula:
C12H22O2Si
Molecular Weight:
226.3874
IUPAC Name:
(5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
InChI:
InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1
InChI Key:
LGSMHNRGYIVLGA-NSHDSACASA-N
SMILES:
O=C1C=CC[C@@H](C1)O[Si](C(C)(C)C)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
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