tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane

C18H39IO4Si2 — CID 11677769

IUPACtert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESCOC1O[C@H](CI)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39IO4Si2/c1-17(2,3)24(8,9)22-14-13(12-19)21-16(20-7)15(14)23-25(10,11)18(4,5)6/h13-16H,12H2,1-11H3/t13-,14+,15-,16?/m1/s1
InChIKeyWOUXDVYGLQGRPJ-IUOOZAAYSA-N
MW502.58 g/mol
LogP5.57
Rot. Bonds6

About tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane (PubChem CID 11677769) has the molecular formula C18H39IO4Si2 and a molecular weight of 502.58 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane
PubChem CID11677769
Molecular FormulaC18H39IO4Si2
Molecular Weight502.58 g/mol
Exact Mass502.14
IUPAC Nametert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESCOC1O[C@H](CI)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39IO4Si2/c1-17(2,3)24(8,9)22-14-13(12-19)21-16(20-7)15(14)23-25(10,11)18(4,5)6/h13-16H,12H2,1-11H3/t13-,14+,15-,16?/m1/s1
InChIKeyWOUXDVYGLQGRPJ-IUOOZAAYSA-N
XLogP5.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

[(2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 57337579
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2R)-2-[(2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 56956840
tert-butyl-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 132937828
[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 11465404
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 56958533
tert-butyl-[[(2R,3R,4R,5S)-5-[[(2S,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethoxyoxolan-2-yl]methoxy]-3,4-dimethoxyoxolan-2-yl]methoxy]-dimethylsilane
CID 71502014
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
CID 88871664
CID 88871664
CID 88871663
CID 88871663

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane (CID 11677769) is tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane is COC1O[C@H](CI)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
The InChIKey is WOUXDVYGLQGRPJ-IUOOZAAYSA-N. The full InChI is InChI=1S/C18H39IO4Si2/c1-17(2,3)24(8,9)22-14-13(12-19)21-16(20-7)15(14)23-25(10,11)18(4,5)6/h13-16H,12H2,1-11H3/t13-,14+,15-,16?/m1/s1.
What are the key properties of tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane has a molecular weight of 502.58 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)-5-methoxyoxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11677769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).