tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane

C13H21IOSi — CID 66845200

IUPACtert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(I)c1
InChIInChI=1S/C13H21IOSi/c1-13(2,3)16(4,5)15-10-11-7-6-8-12(14)9-11/h6-9H,10H2,1-5H3
InChIKeyNABLCBMHWYSWDI-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.81
Rot. Bonds3

About tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane

tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane (PubChem CID 66845200) has the molecular formula C13H21IOSi and a molecular weight of 348.30 g/mol. Its IUPAC name is tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
PubChem CID66845200
Molecular FormulaC13H21IOSi
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC Nametert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(I)c1
InChIInChI=1S/C13H21IOSi/c1-13(2,3)16(4,5)15-10-11-7-6-8-12(14)9-11/h6-9H,10H2,1-5H3
InChIKeyNABLCBMHWYSWDI-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane (CID 66845200) is tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(I)c1.
What is the InChIKey of tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane?
The InChIKey is NABLCBMHWYSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IOSi/c1-13(2,3)16(4,5)15-10-11-7-6-8-12(14)9-11/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane?
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane has a molecular weight of 348.30 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 66845200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).