tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane

C16H25IO2Si — CID 20627925

IUPACtert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CCc2cc(I)ccc2O1
InChIInChI=1S/C16H25IO2Si/c1-16(2,3)20(4,5)18-11-14-8-6-12-10-13(17)7-9-15(12)19-14/h7,9-10,14H,6,8,11H2,1-5H3
InChIKeyZTERJEQAKOXNBK-UHFFFAOYSA-N
MW404.36 g/mol
LogP5.01
Rot. Bonds3

About tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane

tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane (PubChem CID 20627925) has the molecular formula C16H25IO2Si and a molecular weight of 404.36 g/mol. Its IUPAC name is tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane
PubChem CID20627925
Molecular FormulaC16H25IO2Si
Molecular Weight404.36 g/mol
Exact Mass404.07
IUPAC Nametert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CCc2cc(I)ccc2O1
InChIInChI=1S/C16H25IO2Si/c1-16(2,3)20(4,5)18-11-14-8-6-12-10-13(17)7-9-15(12)19-14/h7,9-10,14H,6,8,11H2,1-5H3
InChIKeyZTERJEQAKOXNBK-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane (CID 20627925) is tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CCc2cc(I)ccc2O1.
What is the InChIKey of tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane?
The InChIKey is ZTERJEQAKOXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IO2Si/c1-16(2,3)20(4,5)18-11-14-8-6-12-10-13(17)7-9-15(12)19-14/h7,9-10,14H,6,8,11H2,1-5H3.
What are the key properties of tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane?
tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane has a molecular weight of 404.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 20627925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).