tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane

C30H61IO6Si2 — CID 135069942

IUPACtert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@@]1(CC[C@@H]2C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C[C@@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](CI)O1
InChIInChI=1S/C30H61IO6Si2/c1-26(2,3)38(11,12)33-18-16-24-19-23(34-28(7,8)35-24)15-17-30(32-10)22-29(9,20-25(21-31)36-30)37-39(13,14)27(4,5)6/h23-25H,15-22H2,1-14H3/t23-,24+,25-,29+,30-/m1/s1
InChIKeySCCKXOYKBJXZAK-UYVMBCPWSA-N
MW700.89 g/mol
LogP8.83
Rot. Bonds11

About tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane (PubChem CID 135069942) has the molecular formula C30H61IO6Si2 and a molecular weight of 700.89 g/mol. Its IUPAC name is tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane
PubChem CID135069942
Molecular FormulaC30H61IO6Si2
Molecular Weight700.89 g/mol
Exact Mass700.31
IUPAC Nametert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@@]1(CC[C@@H]2C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C[C@@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](CI)O1
InChIInChI=1S/C30H61IO6Si2/c1-26(2,3)38(11,12)33-18-16-24-19-23(34-28(7,8)35-24)15-17-30(32-10)22-29(9,20-25(21-31)36-30)37-39(13,14)27(4,5)6/h23-25H,15-22H2,1-14H3/t23-,24+,25-,29+,30-/m1/s1
InChIKeySCCKXOYKBJXZAK-UYVMBCPWSA-N
XLogP8.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
CID 11093289
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 134940741
tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 135017573
tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 135054611
tert-butyl-[[(4S,10S,12R)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 135056052
tert-butyl-[[(2S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11648250
tert-butyl-[[(3R,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333490
[(2R,4R,5R,6R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102333493
tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333494
(4S,5R,6R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-[(1R)-1-iodopropyl]-5-methyl-1,3-dioxan-2-one
CID 10527781
(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10529933
(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10577839

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane (CID 135069942) is tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane is CO[C@@]1(CC[C@@H]2C[C@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)C[C@@](C)(O[Si](C)(C)C(C)(C)C)C[C@H](CI)O1.
What is the InChIKey of tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is SCCKXOYKBJXZAK-UYVMBCPWSA-N. The full InChI is InChI=1S/C30H61IO6Si2/c1-26(2,3)38(11,12)33-18-16-24-19-23(34-28(7,8)35-24)15-17-30(32-10)22-29(9,20-25(21-31)36-30)37-39(13,14)27(4,5)6/h23-25H,15-22H2,1-14H3/t23-,24+,25-,29+,30-/m1/s1.
What are the key properties of tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 700.89 g/mol, XLogP of 8.83, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S,6R)-2-[2-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-6-(iodomethyl)-2-methoxy-4-methyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135069942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).