tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane

C14H23IO2Si — CID 175387891

IUPACtert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane
SMILESCC(Oc1ccc(I)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23IO2Si/c1-11(17-18(5,6)14(2,3)4)16-13-9-7-12(15)8-10-13/h7-11H,1-6H3
InChIKeyXTLJWVIULFHUCK-UHFFFAOYSA-N
MW378.33 g/mol
LogP5.04
Rot. Bonds4

About tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane

tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane (PubChem CID 175387891) has the molecular formula C14H23IO2Si and a molecular weight of 378.33 g/mol. Its IUPAC name is tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane
PubChem CID175387891
Molecular FormulaC14H23IO2Si
Molecular Weight378.33 g/mol
Exact Mass378.05
IUPAC Nametert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane
SMILESCC(Oc1ccc(I)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23IO2Si/c1-11(17-18(5,6)14(2,3)4)16-13-9-7-12(15)8-10-13/h7-11H,1-6H3
InChIKeyXTLJWVIULFHUCK-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
CID 66956755
tert-butyl 2-(4-iodophenoxy)propanoate
CID 66338461
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
(4-iodophenyl)-(4-propan-2-yloxyphenyl)diazene
CID 102032062
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
CID 91734918
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
CID 10957339
(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol
CID 102042788
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane (CID 175387891) is tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane is CC(Oc1ccc(I)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane?
The InChIKey is XTLJWVIULFHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO2Si/c1-11(17-18(5,6)14(2,3)4)16-13-9-7-12(15)8-10-13/h7-11H,1-6H3.
What are the key properties of tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane?
tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane has a molecular weight of 378.33 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(4-iodophenoxy)ethoxy]-dimethylsilane is sourced from PubChem (CID 175387891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).