tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane

C14H28I2OSi — CID 10391014

IUPACtert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)C(/C=C(/I)CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28I2OSi/c1-13(2,3)12(9-11(16)10-15)17-18(7,8)14(4,5)6/h9,12H,10H2,1-8H3/b11-9+
InChIKeyJSPIDWGKTIUTRN-PKNBQFBNSA-N
MW494.27 g/mol
LogP6.18
Rot. Bonds4

About tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane (PubChem CID 10391014) has the molecular formula C14H28I2OSi and a molecular weight of 494.27 g/mol. Its IUPAC name is tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane
PubChem CID10391014
Molecular FormulaC14H28I2OSi
Molecular Weight494.27 g/mol
Exact Mass494.00
IUPAC Nametert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)C(/C=C(/I)CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28I2OSi/c1-13(2,3)12(9-11(16)10-15)17-18(7,8)14(4,5)6/h9,12H,10H2,1-8H3/b11-9+
InChIKeyJSPIDWGKTIUTRN-PKNBQFBNSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.27
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E,3R)-1-iodohex-4-en-3-yl]oxy-dimethylsilane
CID 11035195
tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane
CID 134890597
[(E)-2,2-dimethyloct-4-en-3-yl]oxy-trimethylsilane
CID 134922839
tert-butyl-[(1E,5E)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
CID 13914936
tert-butyl-[(1E,3S,5Z)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
CID 13914937
tert-butyl-[(Z,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 60043589
Tert-butyl-(7-iodohept-4-en-3-yloxy)-dimethylsilane
CID 72630448
tert-butyl-[(3S)-1-iodoocta-1,5-dien-3-yl]oxy-dimethylsilane
CID 90738864
tert-butyl-[(3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 91055878
Tert-butyl-(1-iodoocta-1,5-dien-3-yloxy)-dimethylsilane
CID 91405856
tert-butyl-[(Z,3R)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 145788351
(1-Iodo-5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 173303042

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane (CID 10391014) is tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane is CC(C)(C)C(/C=C(/I)CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane?
The InChIKey is JSPIDWGKTIUTRN-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H28I2OSi/c1-13(2,3)12(9-11(16)10-15)17-18(7,8)14(4,5)6/h9,12H,10H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane has a molecular weight of 494.27 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5,6-diiodo-2,2-dimethylhex-4-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10391014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).