tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane

C21H41IO4Si2 — CID 134972898

IUPACtert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane
SMILESCC1(C)OC[C@]2(O1)C(I)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41IO4Si2/c1-18(2,3)27(9,10)24-15-13-16(22)21(14-23-20(7,8)26-21)17(15)25-28(11,12)19(4,5)6/h13,15,17H,14H2,1-12H3/t15-,17+,21-/m0/s1
InChIKeyMGHUBOJNGBFHDE-XPIZARPCSA-N
MW540.63 g/mol
LogP6.62
Rot. Bonds4

About tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane

tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane (PubChem CID 134972898) has the molecular formula C21H41IO4Si2 and a molecular weight of 540.63 g/mol. Its IUPAC name is tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane
PubChem CID134972898
Molecular FormulaC21H41IO4Si2
Molecular Weight540.63 g/mol
Exact Mass540.16
IUPAC Nametert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane
SMILESCC1(C)OC[C@]2(O1)C(I)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41IO4Si2/c1-18(2,3)27(9,10)24-15-13-16(22)21(14-23-20(7,8)26-21)17(15)25-28(11,12)19(4,5)6/h13,15,17H,14H2,1-12H3/t15-,17+,21-/m0/s1
InChIKeyMGHUBOJNGBFHDE-XPIZARPCSA-N
XLogP6.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,4S,5R,7aS)-7-iodo-4-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tri(propan-2-yl)silane
CID 72190643
(5R,6R,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-iodo-1,3-dioxaspiro[4.4]non-8-en-2-one
CID 102213382
tert-butyl-[(2R)-2-[(4S,5R)-5-[(1E,3E)-4-iodobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)ethoxy]-dimethylsilane
CID 134982499
tert-butyl-[(2R)-2-[(4S,5R)-5-[(1E,3Z)-4-iodobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)ethoxy]-dimethylsilane
CID 134983129
tert-butyl-dimethyl-[[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 135040498
[(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 146169014
[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 164730672
tert-butyl-[(1S,2R,5R)-5-(1-ethoxyethoxy)-3-iodo-2-trimethylsilyloxy-2-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11050334
tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 56600292
tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096665
tert-butyl-dimethyl-[[(4R,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096666
tert-butyl-dimethyl-[[(4R,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096667

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane (CID 134972898) is tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane is CC1(C)OC[C@]2(O1)C(I)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane?
The InChIKey is MGHUBOJNGBFHDE-XPIZARPCSA-N. The full InChI is InChI=1S/C21H41IO4Si2/c1-18(2,3)27(9,10)24-15-13-16(22)21(14-23-20(7,8)26-21)17(15)25-28(11,12)19(4,5)6/h13,15,17H,14H2,1-12H3/t15-,17+,21-/m0/s1.
What are the key properties of tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane?
tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane has a molecular weight of 540.63 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane is sourced from PubChem (CID 134972898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).