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

C18H41IO2Si2 — CID 57026141

IUPACtert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane
SMILESCCCC(CC(I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H41IO2Si2/c1-12-13-15(20-22(8,9)17(2,3)4)14-16(19)21-23(10,11)18(5,6)7/h15-16H,12-14H2,1-11H3
InChIKeyRRQMZVJRKSYGIV-UHFFFAOYSA-N
MW472.60 g/mol
LogP7.35
Rot. Bonds8

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

tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane (PubChem CID 57026141) has the molecular formula C18H41IO2Si2 and a molecular weight of 472.60 g/mol. Its IUPAC name is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane
PubChem CID57026141
Molecular FormulaC18H41IO2Si2
Molecular Weight472.60 g/mol
Exact Mass472.17
IUPAC Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane
SMILESCCCC(CC(I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H41IO2Si2/c1-12-13-15(20-22(8,9)17(2,3)4)14-16(19)21-23(10,11)18(5,6)7/h15-16H,12-14H2,1-11H3
InChIKeyRRQMZVJRKSYGIV-UHFFFAOYSA-N
XLogP7.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 57.35
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

tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
CID 154722299
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane
CID 135034832
Tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 85399718
(5S,6R)-6-((ethyldimethylsilyl)oxy)-3,3,9,9-tetramethyl-5-propyl-4,8-dioxa-3,9-disilaundecane
CID 91758721
tert-butyl-[(4R)-1-iodononan-4-yl]oxy-dimethylsilane
CID 101808239
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane
CID 134864006
5,7-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl-trimethylsilane
CID 139252748
lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane
CID 154722514
Tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane
CID 10462015
Tert-butyl-(14-iodotetradecan-7-yloxy)-dimethylsilane
CID 21849279
(S)-5-((1-iodocyclopropyl)methyl)-2,2,3,3,8,8,9,9-octamethyl-4,7-dioxa-3,8-disiladecane
CID 66848997
(R)-5-((1-iodocyclopropyl)methyl)-2,2,3,3,8,8,9,9-octamethyl-4,7-dioxa-3,8-disiladecane
CID 66849204

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane (CID 57026141) is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane is CCCC(CC(I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane?
The InChIKey is RRQMZVJRKSYGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41IO2Si2/c1-12-13-15(20-22(8,9)17(2,3)4)14-16(19)21-23(10,11)18(5,6)7/h15-16H,12-14H2,1-11H3.
What are the key properties of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane?
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane has a molecular weight of 472.60 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57026141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).