tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

C19H39IO3Si — CID 135017573

IUPACtert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
SMILESC[C@H]1[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1[C@@H](C)CI
InChIInChI=1S/C19H39IO3Si/c1-13(11-20)16-15(3)17(23-19(7,8)22-16)14(2)12-21-24(9,10)18(4,5)6/h13-17H,11-12H2,1-10H3/t13-,14+,15+,16-,17-/m0/s1
InChIKeyFREFFNWDKDKFHL-BIVLZKPYSA-N
MW470.51 g/mol
LogP5.87
Rot. Bonds6

About tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (PubChem CID 135017573) has the molecular formula C19H39IO3Si and a molecular weight of 470.51 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
PubChem CID135017573
Molecular FormulaC19H39IO3Si
Molecular Weight470.51 g/mol
Exact Mass470.17
IUPAC Nametert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
SMILESC[C@H]1[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1[C@@H](C)CI
InChIInChI=1S/C19H39IO3Si/c1-13(11-20)16-15(3)17(23-19(7,8)22-16)14(2)12-21-24(9,10)18(4,5)6/h13-17H,11-12H2,1-10H3/t13-,14+,15+,16-,17-/m0/s1
InChIKeyFREFFNWDKDKFHL-BIVLZKPYSA-N
XLogP5.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684
(2R,3R,4R)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863685
(2R,3S,4S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863689
(2R,3R,4R)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863691
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
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
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
[(2S,4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane
CID 59891909
[(4S,5S)-4-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpentan-2-yl]-5-methyl-1,3-dioxan-2-yl]-methyl-phosphanylphosphane
CID 59891939
tert-butyl-[(2R,3R,4S)-2-[(2S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-4-methylhexan-3-yl]oxy-dimethylsilane
CID 60066555
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptane-1,6-diol
CID 10319066

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is C[C@H]1[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1[C@@H](C)CI.
What is the InChIKey of tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The InChIKey is FREFFNWDKDKFHL-BIVLZKPYSA-N. The full InChI is InChI=1S/C19H39IO3Si/c1-13(11-20)16-15(3)17(23-19(7,8)22-16)14(2)12-21-24(9,10)18(4,5)6/h13-17H,11-12H2,1-10H3/t13-,14+,15+,16-,17-/m0/s1.
What are the key properties of tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane has a molecular weight of 470.51 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(4S,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 135017573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).