tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane

C22H45IO3Si2 — CID 11376143

IUPACtert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C/C=C/I)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45IO3Si2/c1-17-19(26-28(10,11)22(5,6)7)15-18(13-12-14-23)25-20(17)16-24-27(8,9)21(2,3)4/h12,14,17-20H,13,15-16H2,1-11H3/b14-12+/t17-,18+,19+,20-/m1/s1
InChIKeyIKPAWSIPAPMCBI-AJVISGNCSA-N
MW540.68 g/mol
LogP7.53
Rot. Bonds7

About tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane (PubChem CID 11376143) has the molecular formula C22H45IO3Si2 and a molecular weight of 540.68 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane
PubChem CID11376143
Molecular FormulaC22H45IO3Si2
Molecular Weight540.68 g/mol
Exact Mass540.20
IUPAC Nametert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C/C=C/I)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45IO3Si2/c1-17-19(26-28(10,11)22(5,6)7)15-18(13-12-14-23)25-20(17)16-24-27(8,9)21(2,3)4/h12,14,17-20H,13,15-16H2,1-11H3/b14-12+/t17-,18+,19+,20-/m1/s1
InChIKeyIKPAWSIPAPMCBI-AJVISGNCSA-N
XLogP7.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 175776548
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133
[(2E,4Z)-5-[(2R,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-(2-oxoethyl)oxan-2-yl]-4-methylpenta-2,4-dienyl] 2,2-dimethylpropanoate
CID 11351470
[(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
2-[(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(1Z,3E,6E,9E,11Z)-12-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxyethyl)-3-methyloxan-2-yl]-2,11-dimethyldodeca-1,3,6,9,11-pentaenyl]-5-methyloxan-2-yl]ethanol
CID 11513272
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
CID 88871663
CID 88871663
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11132099
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane (CID 11376143) is tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane is C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C/C=C/I)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is IKPAWSIPAPMCBI-AJVISGNCSA-N. The full InChI is InChI=1S/C22H45IO3Si2/c1-17-19(26-28(10,11)22(5,6)7)15-18(13-12-14-23)25-20(17)16-24-27(8,9)21(2,3)4/h12,14,17-20H,13,15-16H2,1-11H3/b14-12+/t17-,18+,19+,20-/m1/s1.
What are the key properties of tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 540.68 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-iodoprop-2-enyl]-3-methyloxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11376143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).