tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane

C18H41IO2Si2 — CID 11102782

IUPACtert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](CCCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H41IO2Si2/c1-17(2,3)22(7,8)20-15-13-16(12-11-14-19)21-23(9,10)18(4,5)6/h16H,11-15H2,1-10H3/t16-/m0/s1
InChIKeyIJTHEBKFNKCFLN-INIZCTEOSA-N
MW472.60 g/mol
LogP7.00
Rot. Bonds9

About tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane (PubChem CID 11102782) has the molecular formula C18H41IO2Si2 and a molecular weight of 472.60 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
PubChem CID11102782
Molecular FormulaC18H41IO2Si2
Molecular Weight472.60 g/mol
Exact Mass472.17
IUPAC Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](CCCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H41IO2Si2/c1-17(2,3)22(7,8)20-15-13-16(12-11-14-19)21-23(9,10)18(4,5)6/h16H,11-15H2,1-10H3/t16-/m0/s1
InChIKeyIJTHEBKFNKCFLN-INIZCTEOSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 10498589
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CID 140734279
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
CID 125497051

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane (CID 11102782) is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OCC[C@H](CCCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane?
The InChIKey is IJTHEBKFNKCFLN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H41IO2Si2/c1-17(2,3)22(7,8)20-15-13-16(12-11-14-19)21-23(9,10)18(4,5)6/h16H,11-15H2,1-10H3/t16-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane has a molecular weight of 472.60 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11102782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).