[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane

C18H43IO5Si4 — CID 11490106

IUPAC[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC[C@H]1O[C@H](I)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C18H43IO5Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyOBTFIIYVPYFDOC-SFFUCWETSA-N
MW578.79 g/mol
LogP5.66
Rot. Bonds9

About [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane

[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane (PubChem CID 11490106) has the molecular formula C18H43IO5Si4 and a molecular weight of 578.79 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
PubChem CID11490106
Molecular FormulaC18H43IO5Si4
Molecular Weight578.79 g/mol
Exact Mass578.12
IUPAC Name[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC[C@H]1O[C@H](I)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C18H43IO5Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyOBTFIIYVPYFDOC-SFFUCWETSA-N
XLogP5.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.79
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane (CID 11490106) is [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane is C[Si](C)(C)OC[C@H]1O[C@H](I)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
The InChIKey is OBTFIIYVPYFDOC-SFFUCWETSA-N. The full InChI is InChI=1S/C18H43IO5Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane has a molecular weight of 578.79 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 11490106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).