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138777-16-9 | 2-Buten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methyl-, 1-acetate
CAS No: 138777-16-9 Catalog No: AG0019JQ MDL No:
Product Description
Catalog Number:
AG0019JQ
Chemical Name:
2-Buten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methyl-, 1-acetate
CAS Number:
138777-16-9
Molecular Formula:
C13H26O3Si
Molecular Weight:
258.4292
IUPAC Name:
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
InChI:
InChI=1S/C11H24O2Si.C2H4O2/c1-10(7-8-12)9-13-14(5,6)11(2,3)4;1-2(3)4/h7,12H,8-9H2,1-6H3;1H3,(H,3,4)
InChI Key:
XTOLOHZZPILKDJ-UHFFFAOYSA-N
SMILES:
CC(=O)OCC=C(CO[Si](C(C)(C)C)(C)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.176g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.448g/mol
Monoisotopic Mass:
276.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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