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851316-82-0 | 4,8-DIOXA-3,9-DISILAUNDECANE, 9,9-DIETHYL-5-[(1S,2Z)-3-IODO-1-METHYL-2-BUTEN-1-YL]-2,2,3,3,6-PENTAMETHYL-, (5R,6S)-
CAS No: 851316-82-0 Catalog No: AG004O3W MDL No:
Product Description
Catalog Number:
AG004O3W
Chemical Name:
4,8-DIOXA-3,9-DISILAUNDECANE, 9,9-DIETHYL-5-[(1S,2Z)-3-IODO-1-METHYL-2-BUTEN-1-YL]-2,2,3,3,6-PENTAMETHYL-, (5R,6S)-
CAS Number:
851316-82-0
Molecular Formula:
C21H45IO2Si2
Molecular Weight:
512.6563
IUPAC Name:
tert-butyl-[(2S,3R,4S)-6-iodo-2,4-dimethyl-1-triethylsilyloxyhept-5-en-3-yl]oxy-dimethylsilane
InChI:
InChI=1S/C21H45IO2Si2/c1-12-26(13-2,14-3)23-16-18(5)20(17(4)15-19(6)22)24-25(10,11)21(7,8)9/h15,17-18,20H,12-14,16H2,1-11H3/t17-,18-,20+/m0/s1
InChI Key:
LCBTUSMUAWDIMB-CMKODMSKSA-N
SMILES:
CC[Si](OC[C@@H]([C@@H]([C@H](/C=C(\I)/C)C)O[Si](C(C)(C)C)(C)C)C)(CC)CC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
512.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.663g/mol
Monoisotopic Mass:
512.2g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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